Basic information
- CAS
72738-95-5- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Cl- InChIKey
XLQKPBXTITXAHG-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O2S
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.0651756
Names & identifiers
- Preferred name
- Methanesulfonanilide, 2'-chloro-4'-(9-acridinylamino)-
- IUPAC
- N-[4-(acridin-9-ylamino)-2-chlorophenyl]methanesulfonamide
Names & synonyms
Methanesulfonanilide, 2'-chloro-4'-(9-acridinylamino)-NIOSH/PB050410072738-95-5PB050410004'-(9-Acridinylamino)-2'-chloromethanesulfonanilideMethanesulfonanilide, 4'-(9-acridinylamino)-2'-chloro-BRN 04504102'-Chloro-4'-(9-acridinylamino)methanesulfonanilideCHEMBL92217DTXSID50223040N-{4-[(acridin-9-yl)amino]-2-chlorophenyl}methanesulfonamide
Database identifiers
- CAS
72738-95-5- PubChem CID
- 149490
- DTXSID
DTXSID50223040- ChEMBL
CHEMBL92217- Nikkaji
- J78.389G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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