Benzoic acid,4-(aminosulfonyl)-, methyl ester

Modify Date: 2026-07-14 19:36:09

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure
Benzoic acid,4-(aminosulfonyl)-, methyl ester structure
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

 Names

Name Methyl 4-Sulfamoylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

HS Code 2935009090

 Synthetic Route

~99%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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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

~98%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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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

~%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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Literature: US4990523 A1, ;

~64%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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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

~%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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Literature: Journal of the Chemical Society, , p. 1877,1880

~%

Benzoic acid,4-(aminosulfonyl)-, methyl ester Structure

Benzoic acid,4-...

CAS#:22808-73-7

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Literature: Journal of the Chemical Society, , p. 1877,1880 Journal of the Chemical Society, , p. 1755,1762

 Customs

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%

 Bioassay

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Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
Name: Binding constant against human Carbonic anhydrase II
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828405
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
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
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
Name: Partition coefficient (logP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL829145
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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 Synonyms

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
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