2-Chlorobenzenesulfonamide

C₆H₆ClNO₂SCAS 6961-82-6191.63 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₆ClNO₂S
Molar mass: 191.63 g/mol
Exact mass: 190.9808 Da
Melting point: 187–188 °C
logP: 0.99Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed32.3% of notifiers
H315 Causes skin irritation67.7% of notifiers
H319 Causes serious eye irritation67.7% of notifiers
H335 May cause respiratory irritation66.1% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6961-82-6

SMILES

NS(=O)(=O)c1ccccc1Cl

InChIKey

JCCBZCMSYUSCFM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

8 names

Benzenesulfonamide, 2-chloro-
Benzenesulfonamide, o-chloro-
o-Chlorobenzenesulfonamide
A 4097
2-Chlorophenylsulfonamide
2-Chlorobenzensulfonamide
NSC 62927
2-Chlorobenzene-1-sulfonamide

Work with 2-Chlorobenzenesulfonamide

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

Similar compounds

4-Chloro-3-pyridinesulfonamide33263-43-356 % similar 2-Chlorobenzenesulfonyl chloride2905-23-955 % similar 2-Aminobenzenesulfonamide3306-62-555 % similar 2-Bromobenzenesulfonamide92748-09-955 % similar 2-Fluorobenzenesulfonamide30058-40-353 % similar 2-Methylbenzenesulfonamide88-19-753 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-253 % similar 3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorobenzenesulfonamide17260-71-8 Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-6 Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-6 4-Chlorobenzenesulfonamide98-64-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook