Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(N2CCN(c3c[n+]([O-])ccc3[N+](=O)[O-])CC2)cc1- InChIKey
GDAHSNOZRHNZQP-UHFFFAOYSA-N- Molecular formula
- C16H19N5O5S
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.1106899
Names & identifiers
- Preferred name
- N-{4-[4-(4-Nitro-1-oxidopyrid-3-yl)piperazin-1-yl]phenyl}methanesulphonamide
- IUPAC
- N-[4-[4-(4-nitro-1-oxidopyridin-1-ium-3-yl)piperazin-1-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL10681088GDAHSNOZRHNZQP-UHFFFAOYSA-NN-{4-[4-(4-Nitro-1-oxidopyrid-3-yl)piperazin-1-yl]phenyl}methanesulphonamide
Database identifiers
- PubChem CID
- 21283522
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
Related reactions
2 records
Compound notes
Loading…