Benzoic acid, 4-((2-((4-(aminosulfonyl)phenyl)sulfonyl)hydrazino)sulfonyl)-

HCID 44110

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Basic information

CAS: 62646-44-0
Standard SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1
InChIKey: KQGIECCWAJZCSV-UHFFFAOYSA-N
Molecular formula: C13H13N3O8S3
Average molar mass: 435.5 g/mol
Monoisotopic mass: 434.9864779

Names & identifiers

Preferred name: Benzoic acid, 4-((2-((4-(aminosulfonyl)phenyl)sulfonyl)hydrazino)sulfonyl)-
IUPAC: 3-[[(4-sulfamoylphenyl)sulfonylamino]sulfamoyl]benzoic acid

Names & synonyms

62646-44-0BENZOIC ACID, 4-((2-((4-(AMINOSULFONYL)PHENYL)SULFONYL)HYDRAZINO)SULFONYL)-4-((2-((4-(Aminosulfonyl)phenyl)sulfonyl)hydrazino)sulfonyl)benzoic acidDTXSID50211700RefChem:327307DTXCID401341913-[2-(4-Sulfamoylbenzene-1-sulfonyl)hydrazine-1-sulfonyl]benzoic acid

Database identifiers

CAS: 62646-44-0
PubChem CID: 44110
DTXSID: DTXSID50211700

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 215 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 11
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 844

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