Basic information
- CAS
64895-35-8- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12- InChIKey
MLGMNELVJQCRKM-UHFFFAOYSA-N- Molecular formula
- C21H18N4O5S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.09979086
Names & identifiers
- Preferred name
- Methanesulfonanilide, 3'-methoxy-4'-((3-nitro-9-acridinyl)amino)-
- IUPAC
- N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Names & synonyms
BRN 0504083Methanesulfonanilide, 3'-methoxy-4'-((3-nitro-9-acridinyl)amino)-64895-35-8Methanesulfon-m-anisidide, 4'-((3-nitro-9-acridinyl)amino)-3'-Methoxy-4'-((3-nitro-9-acridinyl)amino)methanesulfonanilideDTXSID802152165-22-11-00052 (Beilstein Handbook Reference)RefChem:352276DTXCID80137707CHEMBL416074N-{3-METHOXY-4-[(3-NITROACRIDIN-9-YL)AMINO]PHENYL}METHANESULFONAMIDE
Database identifiers
- CAS
64895-35-8- PubChem CID
- 5488080
- DTXSID
DTXSID80215216- ChEMBL
CHEMBL416074- Nikkaji
- J85.424G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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