CAS 138-41-0|4-(Aminosulfonyl)benzoic acid|4-aminosulfonylbenzoic acid|4-sulfamoylbenzoic acid|4-磺酰氨基苯甲酸|对磺酰胺苯甲酸|Benzoic acid 4-sulfamide|4-Carboxybenzenesulfonamide|4-羧基苯磺酰胺|4-S...

General Information

Structure

Molecular Formula

C₇H₇NO₄S

Molecular Mass

201.19978

Exact Mass

201.00957871

Charge

InChI

InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

InChIKey

UCAGLBKTLXCODC-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccc(cc1)S(=O)(=O)N

Isomeric Smiles

S(=O)(=O)(c1ccc(C(=O)O)cc1)N

Calculated Properties

JChem

Acid pKa

3.543922

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7125542

LogD (pH = 7.4)

-3.1252768

Log P

0.2368595

Molar Refractivity

45.4721

Polarizability

18.067547

Polar Surface Area

97.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-sulfamoylbenzoic acid

IUPAC Traditional name

4-aminosulfonylbenzoic acid

Synonyms

4-(Aminosulfonyl)benzoic acid4-羧基苯磺酰胺4-磺酰氨基苯甲酸对磺酰胺苯甲酸4-Sulfamoylbenzoic acid4-CarboxybenzenesulfonamideBenzoic acid 4-sulfamide4-sulfamoylbenzoic acid4-Carboxybenzenesulfonamide4-磺酰氨基苯甲酸4-(Aminosulfonyl)benzoic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID