5-(Aminosulfonyl)-2-chlorobenzoic acid

C₇H₆ClNO₄SCAS 97-04-1235.64 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonamide

Properties

Molecular formula: C₇H₆ClNO₄S
Molar mass: 235.64 g/mol
Exact mass: 234.9706 Da
logP: 0.69Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

97-04-1

SMILES

NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1

InChIKey

LWDSANAOYPHQAW-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 5-(aminosulfonyl)-2-chloro-
Benzoic acid, 2-chloro-5-sulfamoyl-
2-Chloro-5-sulfamoylbenzoic acid
2-Chloro-5-aminosulfonylbenzoic acid

Work with 5-(Aminosulfonyl)-2-chlorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Chloro-3-sulfamoylbenzoic acid1205-30-7 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-8 4-Nitrobenzenemethanesulfonyl chloride4025-75-6 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-1 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-4

Elsewhere

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