n-(4-{[4-(Acetylamino)phenyl]sulfonyl}phenyl)propanamide

HCID 239015

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Basic information

CAS: 6345-91-1
Standard SMILES: CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIKey: BXRAQJKFWLWIEC-UHFFFAOYSA-N
Molecular formula: C17H18N2O4S
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.09872823

Names & identifiers

Preferred name: n-(4-{[4-(Acetylamino)phenyl]sulfonyl}phenyl)propanamide
IUPAC: N-[4-(4-acetamidophenyl)sulfonylphenyl]propanamide

Names & synonyms

n-(4-{[4-(acetylamino)phenyl]sulfonyl}phenyl)propanamideNIOSH/TX14015006345-91-1TX140150004-Acetylamino-4'-propionylaminodiphenyl sulfonePropionanilide, 4'-((p-acetamidophenyl)sulfonyl)-N-(4-((4-(Acetylamino)phenyl)sulfonyl)phenyl)propanamidePropanamide, N-(4-((4-(acetylamino)phenyl)sulfonyl)phenyl)-NSC43729DTXSID90979670NSC-43729N-[4-(4-Propanamidobenzene-1-sulfonyl)phenyl]ethanimidic acid

Database identifiers

CAS: 6345-91-1
PubChem CID: 239015
DTXSID: DTXSID90979670

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 539

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