4-[(Hexahydro-1H-azepin-1-yl)carbonyl]-N-methyl-N-phenylbenzenesulfonamide

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Basic information

CAS: 1003647-44-6
Standard SMILES: CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1
InChIKey: CKAQTOOSRGHSBS-UHFFFAOYSA-N
Molecular formula: C20H24N2O3S
Average molar mass: 372.5 g/mol
Monoisotopic mass: 372.15076381

Names & identifiers

Preferred name: 4-[(Hexahydro-1H-azepin-1-yl)carbonyl]-N-methyl-N-phenylbenzenesulfonamide
IUPAC: 4-(azepane-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

Names & synonyms

DTXSID4011454214-[(Hexahydro-1H-azepin-1-yl)carbonyl]-N-methyl-N-phenylbenzenesulfonamideAKOS0009182211003647-44-64-(Azepane-1-carbonyl)-N-methyl-N-phenylbenzene-1-sulfonamide

Database identifiers

CAS: 1003647-44-6
PubChem CID: 7964064
DTXSID: DTXSID401145421

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 550

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