Basic information
- CAS
61462-73-5- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1- InChIKey
JKZLMSQBCKGMGW-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O2S
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.0651756
Names & identifiers
- Preferred name
- Methanesulfonanilide, 4'-((2-chloro-9-acridinyl)amino)-
- IUPAC
- N-[4-[(2-chloroacridin-9-yl)amino]phenyl]methanesulfonamide
- English name
- N-[4-[(2-Chloro-9-acridinyl)amino]phenyl]methanesulfonamide
- Molecular formula
- C20H16ClN3O2S
- Molecular weight
- 397.88
Names & synonyms
BRN 0452516Methanesulfonanilide, 4'-((2-chloro-9-acridinyl)amino)-61462-73-54'-(2-Chloro-9-acridinylamino)methanesulfonanilideDTXSID40210404Methanesulfonamide, N-(4-((2-chloro-9-acridinyl)amino)phenyl)-5-22-11-00036 (Beilstein Handbook Reference)RefChem:352293DTXCID00132895CHEMBL274288N-{4-[(2-chloroacridin-9-yl)amino]phenyl}methanesulfonamideN-[4-[(2-Chloro-9-acridinyl)amino]phenyl]methanesulfonamide
Show more names
Methanesulfonamide, N-[4-[(2-chloro-9-acridinyl)amino]phenyl]-
Database identifiers
- CAS
61462-73-5- PubChem CID
- 148952
- DTXSID
DTXSID40210404- ChEMBL
CHEMBL274288- Nikkaji
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
- 603
Physicochemical properties
- Density
- 1.2283 · 1.2283 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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