Basic information
- CAS
58658-21-2- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc([N+](=O)[O-])cc23)cc1- InChIKey
BKUVFMJAYBTFES-UHFFFAOYSA-N- Molecular formula
- C20H16N4O4S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.08922618
Names & identifiers
- Preferred name
- N-(4-((2-Nitro-9-acridinyl)amino)phenyl)methanesulfonamide
- IUPAC
- N-[4-[(2-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Names & synonyms
58658-21-2N-(4-((2-Nitro-9-acridinyl)amino)phenyl)methanesulfonamideCHEMBL92515DTXSID40974195Methanesulfonamide, N-(4-((2-nitro-9-acridinyl)amino)phenyl)-N-{4-[(2-Nitroacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide
Database identifiers
- CAS
58658-21-2- PubChem CID
- 5488076
- DTXSID
DTXSID40974195- ChEMBL
CHEMBL92515
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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