3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide

HCID 394899

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Basic information

CAS: 189033-41-8
Standard SMILES: NS(=O)(=O)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1
InChIKey: CJCAHWZPHQVRDD-UHFFFAOYSA-N
Molecular formula: C9H7N5O5S2
Average molar mass: 329.3 g/mol
Monoisotopic mass: 328.98886069

Names & identifiers

Preferred name: 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
IUPAC: 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide

Names & synonyms

3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide189033-41-8NSC698991CHEMBL1983782DTXSID90327879AKOS024364696NSC-698991NCI60_035394ST50997036(3-nitrophenyl)-N-(5-sulfamoyl(1,3,4-thiadiazol-2-yl))carboxamideN-(5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl)-3-(hydroxy(oxido)amino)benzamide

Database identifiers

CAS: 189033-41-8
PubChem CID: 394899
DTXSID: DTXSID90327879
ChEMBL: CHEMBL1983782

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 197 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 516

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