N-(2-Chlorophenyl)-2-nitrobenzenesulfonamide

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Basic information

CAS: 117561-95-2
Standard SMILES: O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Cl
InChIKey: FMOYBIMMIKTZPE-UHFFFAOYSA-N
Molecular formula: C12H9ClN2O4S
Average molar mass: 312.73 g/mol
Monoisotopic mass: 311.9971556

Names & identifiers

Preferred name: N-(2-Chlorophenyl)-2-nitrobenzenesulfonamide
IUPAC: N-(2-chlorophenyl)-2-nitrobenzenesulfonamide

Names & synonyms

N-(2-chlorophenyl)-2-nitrobenzenesulfonamide117561-95-2RefChem:161716CBDivE_010767DTXSID801257343STK414076AKOS003041018ST50924940(2-chlorophenyl)[(2-nitrophenyl)sulfonyl]amineN-(2-Chlorophenyl)-2-nitrobenzene-1-sulfonamideZ45632082

Database identifiers

CAS: 117561-95-2
PubChem CID: 744700
DTXSID: DTXSID801257343

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 445

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