Benzoic acid,4-(aminosulfonyl)-, methyl ester
Benzoic acid,4-(aminosulfonyl)-, methyl ester structure
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Common Name | Benzoic acid,4-(aminosulfonyl)-, methyl ester | ||
|---|---|---|---|---|
| CAS Number | 22808-73-7 | Molecular Weight | 215.22600 | |
| Density | 1.377g/cm3 | Boiling Point | 388.5ºC at 760mmHg | |
| Molecular Formula | C8H9NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 188.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 4-Sulfamoylbenzoate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.377g/cm3 |
|---|---|
| Boiling Point | 388.5ºC at 760mmHg |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.22600 |
| Flash Point | 188.7ºC |
| Exact Mass | 215.02500 |
| PSA | 94.84000 |
| LogP | 1.90170 |
| Vapour Pressure | 3.06E-06mmHg at 25°C |
| Index of Refraction | 1.556 |
| InChIKey | XLOVNJUCAFIANM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(S(N)(=O)=O)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2935009090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
Benzoic acid,4-... CAS#:22808-73-7 |
| Literature: Barton, Victoria; Ward, Steven A.; Chadwick, James; Hill, Alasdair; O'Neill, Paul M. Journal of Medicinal Chemistry, 2010 , vol. 53, # 11 p. 4555 - 4559 |
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~98%
Benzoic acid,4-... CAS#:22808-73-7 |
| Literature: Lobb, Karen L.; Hipskind, Philip A.; Aikins, James A.; Alvarez, Enrique; Cheung, Yiu-Yin; Considine, Eileen L.; De Dios, Alfonso; Durst, Gregory L.; Ferritto, Rafael; Grossman, Cora Sue; Giera, Deborah D.; Hollister, Beth A.; Huang, Zhongping; Iversen, Philip W.; Law, Kevin L.; Li, Tiechao; Lin, Ho-Shen; Lopez, Beatriz; Lopez, Jose E.; Martin Cabrejas, Luisa M.; McCann, Denis J.; Molero, Victoriano; Reilly, John E.; Richett, Michael E.; Shih, Chuan; Teicher, Beverly; Wikel, James H.; White, Wesley T.; Mader, Mary M. Journal of Medicinal Chemistry, 2004 , vol. 47, # 22 p. 5367 - 5380 |
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~%
Benzoic acid,4-... CAS#:22808-73-7 |
| Literature: US4990523 A1, ; |
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~64%
Benzoic acid,4-... CAS#:22808-73-7
Learn More
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| Literature: Prosyanik, A.V.; Kol'tsov, N.Yu.; Romanchenko, V.A.; Belov, V.V.; Burmistrov, K.S.; Loban', S.V. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, p. 335 - 342 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 2 p. 375 - 382 |
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~%
Benzoic acid,4-... CAS#:22808-73-7 |
| Literature: Journal of the Chemical Society, , p. 1877,1880 |
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~%
Benzoic acid,4-... CAS#:22808-73-7 |
| Literature: Journal of the Chemical Society, , p. 1877,1880 Journal of the Chemical Society, , p. 1755,1762 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 8 | |
CAS#:35264-29-0
CAS#:5719-85-7
CAS#:2224-10-4![methyl 4-[bis(prop-2-ynyl)sulfamoyl]benzoate structure](https://image.chemsrc.com/caspic/148/768387-53-7.png)
CAS#:768387-53-7
CAS#:67472-44-0
CAS#:88241-94-5
CAS#:88241-95-6
CAS#:89820-24-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
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Name: Binding constant against human Carbonic anhydrase II
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828405
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Name: A High Throughput Screening Assay for Inhibitors of Bacterial Motility in Vibrio chol...
Source: Southern Research Institute
Target: N/A
External Id: CHOL_MOT
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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|
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 4-(aminosulfonyl)benzoate |
| Benzoic acid,4-(aminosulfonyl)-,methyl ester |
| 4-(Aminosulfonyl)benzoic acid methyl ester |
| 4-(carbomethoxyphenyl)sulfonamide |
| 4-(methoxycarbonyl)benzenesulfonamide |
| Methyl p-sulfamylbenzoate |
| Methyl 4-sulphamoylbenzoate |
| 4-sulfamoylbenzoic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Methyl 4-Sulfamoylbenzoate? |
| A: InChIKey of Methyl 4-Sulfamoylbenzoate is XLOVNJUCAFIANM-UHFFFAOYSA-N. |
| Q: What is the English name of Methyl 4-Sulfamoylbenzoate? |
| A: The English name of Methyl 4-Sulfamoylbenzoate is Methyl 4-Sulfamoylbenzoate. |
| Q: What is the molecular formula of Methyl 4-Sulfamoylbenzoate? |
| A: Molecular formula of Methyl 4-Sulfamoylbenzoate is C8H9NO4S. |
| Q: What is the LogP of Methyl 4-Sulfamoylbenzoate? |
| A: LogP of Methyl 4-Sulfamoylbenzoate is 1.90170. |
| Q: What is the boiling point of Methyl 4-Sulfamoylbenzoate? |
| A: Boiling point of Methyl 4-Sulfamoylbenzoate is 388.5ºC at 760mmHg. |
| Q: What are the upstream materials of Methyl 4-Sulfamoylbenzoate? |
| A: Related upstream materials(CAS) of Methyl 4-Sulfamoylbenzoate: 67-56-1;138-41-0;18107-18-1;110955-54-9;70-55-3;186581-53-3. |
| Q: What English synonyms does Methyl 4-Sulfamoylbenzoate have? |
| A: English synonyms of Methyl 4-Sulfamoylbenzoate: methyl 4-(aminosulfonyl)benzoate, Benzoic acid,4-(aminosulfonyl)-,methyl ester, 4-(Aminosulfonyl)benzoic acid methyl ester, 4-(carbomethoxyphenyl)sulfonamide, 4-(methoxycarbonyl)benzenesulfonamide, Methyl p-sulfamylbenzoate, Methyl 4-sulphamoylbenzoate, 4-sulfamoylbenzoic acid methyl ester. |
| Q: What is the CAS number of Methyl 4-Sulfamoylbenzoate? |
| A: CAS number of Methyl 4-Sulfamoylbenzoate is 22808-73-7. |
| Q: What is the SMILES notation of Methyl 4-Sulfamoylbenzoate? |
| A: SMILES notation of Methyl 4-Sulfamoylbenzoate is COC(=O)c1ccc(S(N)(=O)=O)cc1. |
| Q: What are the downstream products of Methyl 4-Sulfamoylbenzoate? |
| A: Related downstream products(CAS) of Methyl 4-Sulfamoylbenzoate: 35264-29-0;5719-85-7;2224-10-4;768387-53-7;67472-44-0;88241-94-5;88241-95-6;89820-24-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |