Basic information
- CAS
94037-48-6- Standard SMILES
Nc1nc(N)nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1- InChIKey
PPXBIGZLUXRESK-UHFFFAOYSA-N- Molecular formula
- C15H13N7O4S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.0749731
Names & identifiers
- Preferred name
- N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide
- IUPAC
- N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide
Names & synonyms
94037-48-6NSC268907N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamideCHEMBL2006541DTXSID00313324NSC-268907NCI60_002177Benzenesulfonamide,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitro-N-[2-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
94037-48-6- PubChem CID
- 320647
- DTXSID
DTXSID00313324- ChEMBL
CHEMBL2006541
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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