3-Chlorobenzenesulphonamide

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CAS Number

17260-71-8

MDL Number

MFCD00051976

Smiles

NS (=O) (=O) c1cccc (Cl) c1

Chemical Information

3-Chlorobenzenesulfonamide

CAS Number	17260-71-8
PubChem CID	519377
IUPAC Name	3-chlorobenzenesulfonamide
Molecular Formula	C6H6ClNO2S
Molecular Weight	191.64
XLogP	1.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	221

SMILES

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

InChI

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

InChIKey

WSYQJNPRQUFCGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17260-71-8

CID: 519377

Formula: C6H6ClNO2S

MW: 191.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.64
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.9807773
Monoisotopic Mass	190.9807773
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR30474-01	4-Chlorobenzenesulphonamide
OR0109-01	2-Chlorobenzenesulphonamide
OR4325-01	4-Bromo-2-chlorobenzenesulphonamide
OR2017	2-Amino-5-chlorobenzenesulphonamide
PC109303-01	N- (Phenyl) -N-[2- (3-chloro-5-trifluoromethylpyridinyl) methyl]-4-chlorobenzenesulphonamide
OR62140-01	3-Amino-4-chlorobenzenesulfonamide
OR46616-01	2-Bromo-3-chlorobenzenesulfonamide
OR1044409-01	4-Amino-2-chlorobenzenesulfonamide
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane

Catalog	Name
AR-C02204-01	4-Chlorobenzenesulphonamide
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
160739	3,3,3-Trimethoxypropanenitrile