N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide

HCID 394898

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Basic information

CAS: 86029-44-9
Standard SMILES: NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
InChIKey: PMNNJWNEWDGYIV-UHFFFAOYSA-N
Molecular formula: C9H8N4O3S2
Average molar mass: 284.3 g/mol
Monoisotopic mass: 284.00378248

Names & identifiers

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

Names & synonyms

86029-44-9N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamideN-(5-Sulfamoyl-(1,3,4)thiadiazol-2-yl)-benzamideRefChem:362423N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamideNSC698990CHEMBL281376Benzamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-WPR9RGW25VSCHEMBL9795960BDBM16669DTXSID30327878

Show more names

heterocyclic sulfonamide compound 34NSC-698990NCI60_035393PD1869642-benzoylamino-1,3,4-thiadiazole 5-sulfonamideN-[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]benzamide

Database identifiers

CAS: 86029-44-9
PubChem CID: 394898
DTXSID: DTXSID30327878
ChEMBL: CHEMBL281376
UNII: WPR9RGW25V
Nikkaji: J1.718.055J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 152 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 403

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