chempirical

N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide

C9H10ClNO3SCAS 64488-52-4247.69 g/mol

Open in Covalent MOL file
SOOHNOCl
Alkyl halideKetoneSulfonamide

Properties

Molecular formula
C9H10ClNO3S
Molar mass
247.69 g/mol
Exact mass
247.0070 Da
Melting point
197.5–199 °C
logP
1.48Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
64488-52-4
SMILES
CS(=O)(=O)Nc1ccc(C(=O)CCl)cc1
InChIKey
DRQKKEYKSSAVTO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Methanesulfonamide, N-[4-(2-chloroacetyl)phenyl]-
  • Methanesulfonamide, N-[4-(chloroacetyl)phenyl]-
  • 4′-(Chloroacetyl)methanesulfonanilide
  • 2-Chloro-4′-methanesulfonamidoacetophenone
  • 4-(Chloroacetyl)methanesulfonanilide

Work with N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide

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

2-Chloro-1-(4-methylphenyl)ethanone4209-24-951 % similar 2,4′-Dichloroacetophenone937-20-249 % similar 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-448 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-848 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-347 % similar 2-Chloro-4′-fluoroacetophenone456-04-247 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-047 % similar N-Phenylmethanesulfonamide1197-22-447 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook