Basic information
- CAS
72738-91-1- Standard SMILES
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NS(C)(=O)=O)ccc23)cc1- InChIKey
XYKRFWCBBAHTCP-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4S2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.09259748
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-((3-((methylsulfonyl)amino)-9-acridinyl)amino)phenyl)-
- IUPAC
- N-[4-[[3-(methanesulfonamido)acridin-9-yl]amino]phenyl]methanesulfonamide
Names & synonyms
Methanesulfonamide, N-(4-((3-((methylsulfonyl)amino)-9-acridinyl)amino)phenyl)-72738-91-1N-(4-((3-((Methylsulfonyl)amino)-9-acridinyl)amino)phenyl)methanesulfonamideCHEMBL92849DTXSID80223038N-(4-{[3-(Methanesulfonamido)acridin-9-yl]amino}phenyl)methanesulfonamide
Database identifiers
- CAS
72738-91-1- PubChem CID
- 149487
- DTXSID
DTXSID80223038- ChEMBL
CHEMBL92849- Nikkaji
- J85.430A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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