3-Chlorobenzenesulfonamide

C₆H₆ClNO₂SCAS 17260-71-8191.63 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
logP: 0.99Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

17260-71-8

SMILES

C1=CC(=CC(=C1)Cl)S(=O)(=O)N

InChIKey

WSYQJNPRQUFCGL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3,5-Dichlorobenzenesulfonamide19797-32-167 % similar 3-Fluorobenzenesulfonamide1524-40-960 % similar 3-Aminobenzenesulfonamide98-18-060 % similar 3-Bromobenzene-1-sulfonamide89599-01-958 % similar 3-Chlorobenzenesulfonyl chloride2888-06-457 % similar Benzenesulfonamide98-10-256 % similar 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-253 % similar 3-Nitrobenzenesulfonamide121-52-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-6 2-Chlorobenzenesulfonamide6961-82-6 Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-6 4-Chlorobenzenesulfonamide98-64-6

Elsewhere

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