Basic information
- Standard SMILES
CN1CCN(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1- InChIKey
VZSCBESJZWONNL-UHFFFAOYSA-N- Molecular formula
- C11H17N5O4S
- Average molar mass
- 315.35 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-1-ylamino)-3-nitrobenzenesulfonamide
- IUPAC
- 4-[(4-methylpiperazin-1-yl)amino]-3-nitrobenzenesulfonamide
Names & synonyms
610261-17-1SCHEMBL1700075VZSCBESJZWONNL-UHFFFAOYSA-NAKOS002663490DA-218204-(4-methylpiperazin-1-ylamino)-3-nitrobenzenesulfonamide
Database identifiers
- PubChem CID
- 4737741
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
13 records
Compound notes
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