Basic information
- CAS
57164-70-2- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(F)(F)F)ccc12- InChIKey
XHBMXGZTFHERDB-UHFFFAOYSA-N- Molecular formula
- C22H18F3N3O3S
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.1020971
Names & identifiers
- Preferred name
- Methanesulfonanilide, 3'-methoxy-4'-((3-trifluoromethyl-9-acridinyl)amino)-
- IUPAC
- N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide
Names & synonyms
Methanesulfonanilide, 3'-methoxy-4'-((3-trifluoromethyl-9-acridinyl)amino)-57164-70-2BRN 0464874Methanesulfon-m-anisidide, 4'-((trifluoromethyl-9-acridinyl)amino)-3'-Methoxy-4'-((3-trifluoromethyl-9-acridinyl)amino)methanesulfonanilideCHEMBL110143DTXSID10205802N-(3-methoxy-4-{[3-(trifluoromethyl)acridin-9-yl]amino}phenyl)methanesulfonamide
Database identifiers
- CAS
57164-70-2- PubChem CID
- 148795
- DTXSID
DTXSID10205802- ChEMBL
CHEMBL110143- Nikkaji
- J85.427A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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