4-Chlorobenzenesulfonamide

C6H6ClNO2SCAS 98-64-6191.63 g/mol

Open in Covalent MOL file
H2NSOOCl
Aryl halideSulfonamide

Properties

Molecular formula
C6H6ClNO2S
Molar mass
191.63 g/mol
Exact mass
190.9808 Da
Melting point
145.75 °C
logP
0.99Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
98-64-6
SMILES
NS(=O)(=O)c1ccc(Cl)cc1
InChIKey
HHHDJHHNEURCNV-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)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

10 names
  • Benzenesulfonamide, 4-chloro-
  • Benzenesulfonamide, p-chloro-
  • p-Chlorobenzenesulfonamide
  • 4-Chlorophenylsulfonamide
  • p-Chlorobenzenesulfamide
  • p-Chlorophenylsulfonamide
  • ADD 55051
  • NSC 403674
  • NSC 9913
  • 4-Chlorobenzezne sulfonamide

Work with 4-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-Dichlorobenzenesulfonamide19797-32-162 % similar Sulfanilamide63-74-158 % similar 4,4′-Dichlorodiphenyl sulfone80-07-956 % similar Benzenesulfonamide98-10-256 % similar 4-Hydroxybenzenesulfonamide1576-43-856 % similar 4-Fluorobenzenesulfonamide402-46-056 % similar P-Toluenesulfonamide70-55-356 % similar 4-Bromobenzenesulfonamide701-34-856 % 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 2-Chlorobenzenesulfonamide6961-82-6 Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook