Basic information
- CAS
61785-67-9- Standard SMILES
NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3no[n+]([O-])c23)cc1- InChIKey
FORJUFBHBWYGPX-UHFFFAOYSA-N- Molecular formula
- C12H9N5O6S
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 351.0273542
Names & identifiers
- Preferred name
- 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
- IUPAC
- 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
Names & synonyms
61785-67-9NSC2280944-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamideDTXSID80310538NSC-2280944-[(4-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-yl)amino]benzene-1-sulfonamide
Database identifiers
- CAS
61785-67-9- PubChem CID
- 313574
- DTXSID
DTXSID80310538
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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