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

C₉H₁₀ClNO₃SCAS 64488-52-4247.69 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Sulfonamide

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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