Methanesulfonanilide, 4'-((3-cyano-9-acridinyl)amino)-3'-methoxy-
Basic information
- CAS
79453-43-3- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C#N)ccc12- InChIKey
AQHSAOPUMLWSPA-UHFFFAOYSA-N- Molecular formula
- C22H18N4O3S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.10996162
Names & identifiers
- Preferred name
- Methanesulfonanilide, 4'-((3-cyano-9-acridinyl)amino)-3'-methoxy-
- IUPAC
- N-[4-[(3-cyanoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Names & synonyms
BRN 531627079453-43-3Methanesulfonanilide, 4'-((3-cyano-9-acridinyl)amino)-3'-methoxy-Methanesulfon-m-anisidide, 4'-((3-cyano-9-acridinyl)amino)-4'-((3-Cyano-9-acridinyl)amino)-3'-methoxymethanesulfonanilideDTXSID70229685RefChem:352301DTXCID20152176CHEMBL321620N-{4-[(3-CYANOACRIDIN-9-YL)AMINO]-3-METHOXYPHENYL}METHANESULFONAMIDE
Database identifiers
- CAS
79453-43-3- PubChem CID
- 149776
- DTXSID
DTXSID70229685- ChEMBL
CHEMBL321620- Nikkaji
- J85.403D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 745
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Related reactions
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Compound notes
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