Basic information
- CAS
61417-06-9- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cccc([N+](=O)[O-])c23)cc1- InChIKey
SIUYHZUXXQNBTA-UHFFFAOYSA-N- Molecular formula
- C20H16N4O4S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.08922618
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-((1-nitro-9-acridinyl)amino)phenyl)-
- IUPAC
- N-[4-[(1-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Names & synonyms
Methanesulfonamide, N-(4-((1-nitro-9-acridinyl)amino)phenyl)-61417-06-9N-(4-((1-Nitro-9-acridinyl)amino)phenyl)methanesulfonamideCHEMBL110090DTXSID70210351N-{4-[(1-NITROACRIDIN-9-YL)AMINO]PHENYL}METHANESULFONAMIDE
Database identifiers
- CAS
61417-06-9- PubChem CID
- 5488085
- DTXSID
DTXSID70210351- ChEMBL
CHEMBL110090
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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