2-[4-chloro(phenylsulfonyl)-3-(trifluoromethyl)anilino]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide

HCID 178819810

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Basic information

CAS: 506449-07-6
Standard SMILES: O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIKey: DSYZHZQSCMKUHO-UHFFFAOYSA-N
Molecular formula: C28H22ClF3N2O3S2
Average molar mass: 591.1 g/mol

Names & identifiers

Preferred name: 2-[4-chloro(phenylsulfonyl)-3-(trifluoromethyl)anilino]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide
IUPAC: 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
English name: 2-[4-chloro(phenylsulfonyl)-3-(trifluoromethyl)anilino]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide
Molecular formula: C28H22ClF3N2O3S2
Molecular weight: 591.0640896

Names & synonyms

STL101977AKOS003203309AH-487/409368832-[4-chloro(phenylsulfonyl)-3-(trifluoromethyl)anilino]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamideN~2~-[4-chloro-3-(trifluoromethyl)phenyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}-N~2~-(phenylsulfonyl)glycinamide

Database identifiers

CAS: 506449-07-6

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 881

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