Methanesulfonanilide, 3'-methoxy-4'-((4-nitro-9-acridinyl)amino)-
Basic information
- CAS
76708-70-8- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12- InChIKey
HQCQBWGAGNRHBM-UHFFFAOYSA-N- Molecular formula
- C21H18N4O5S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.09979086
Names & identifiers
- Preferred name
- Methanesulfonanilide, 3'-methoxy-4'-((4-nitro-9-acridinyl)amino)-
- IUPAC
- N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Names & synonyms
BRN 0464032Methanesulfonanilide, 3'-methoxy-4'-((4-nitro-9-acridinyl)amino)-4'-(4-Nitro-9-acridinylamino)methanesulfon-m-anisidide76708-70-8Methanesulfon-m-anisidide, 4'-(4-nitro-9-acridinylamino)-3'-Methoxy-4'-((4-nitro-9-acridinyl)amino)methanesulfonanilideDTXSID302275415-22-11-00054 (Beilstein Handbook Reference)RefChem:352282DTXCID80150032CHEMBL110384N-{3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl}methanesulfonamide
Database identifiers
- CAS
76708-70-8- PubChem CID
- 5488121
- DTXSID
DTXSID30227541- ChEMBL
CHEMBL110384- Nikkaji
- J85.425E
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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