N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide

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Basic information

CAS: 60515-77-7
Standard SMILES: O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1
InChIKey: WVFSXESWPMNHNI-UHFFFAOYSA-N
Molecular formula: C18H13N3O5S
Average molar mass: 383.4 g/mol
Monoisotopic mass: 383.0575917

Names & identifiers

Preferred name: N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide
IUPAC: N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide

Names & synonyms

N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamideNSC29153960515-77-7DTXSID30315038NSC-2915394-Pyridinecarboxamide, N-[4-[(4-nitrophenyl)sulfonyl]phenyl]-N-[4-(4-Nitrobenzene-1-sulfonyl)phenyl]pyridine-4-carboxamide

Database identifiers

CAS: 60515-77-7
PubChem CID: 324808
DTXSID: DTXSID30315038

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 130 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 620

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Compound notes

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