2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide

HCID 45891797

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Basic information

CAS: 1181538-98-6
Standard SMILES: CC1CCC(NC(=O)C(C)S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIKey: HYWICKPDOHEQSZ-UHFFFAOYSA-N
Molecular formula: C17H24ClNO3S
Average molar mass: 357.9 g/mol
Monoisotopic mass: 357.1165425

Names & identifiers

Preferred name: 2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
IUPAC: 2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide

Names & synonyms

1181538-98-62-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamideDTXSID101155328AKOS008130410Z4168962302-[[(3-Chlorophenyl)methyl]sulfonyl]-N-(4-methylcyclohexyl)propanamide2-[(3-CHLOROPHENYL)METHANESULFONYL]-N-(4-METHYLCYCLOHEXYL)PROPANAMIDE

Database identifiers

CAS: 1181538-98-6
PubChem CID: 45891797
DTXSID: DTXSID101155328

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 494

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