4-(2-Chloroethyl)-N-(1-methylpropyl)-benzenesulfonamide

Substructure search Find similar structures

Basic information

CAS: 1018339-50-8
Standard SMILES: CCC(C)NS(=O)(=O)c1ccc(CCCl)cc1
InChIKey: IZVAYQZEQANPHN-UHFFFAOYSA-N
Molecular formula: C12H18ClNO2S
Average molar mass: 275.8 g/mol
Monoisotopic mass: 275.0746777

Names & identifiers

Preferred name: 4-(2-Chloroethyl)-N-(1-methylpropyl)-benzenesulfonamide
IUPAC: N-butan-2-yl-4-(2-chloroethyl)benzenesulfonamide
English name: 4-(2-Chloroethyl)-N-(1-methylpropyl)-benzenesulfonamide
Molecular formula: C12H18ClNO2S
Molecular weight: 275.79482

Names & synonyms

1018339-50-8N-(sec-Butyl)-4-(2-chloroethyl)benzenesulfonamide4-(2-CHLOROETHYL)-N-(1-METHYLPROPYL)-BENZENESULFONAMIDEDTXSID10656274N-(Butan-2-yl)-4-(2-chloroethyl)benzene-1-sulfonamideBenzenesulfonamide, 4-(2-chloroethyl)-N-(1-methylpropyl)-OTAVA-BB 1132654N-butan-2-yl-4-(2-chloroethyl)benzenesulfonamide

Database identifiers

CAS: 1018339-50-8
PubChem CID: 43662650
DTXSID: DTXSID10656274

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 305

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…