(R)-N-((S)-1-(3-Chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
Basic information
- CAS
1509899-70-0- Standard SMILES
CC(C)(C)[S@@](=O)N[C@@H](c1ccc2cnc(Cl)cc2c1)C(F)(F)F- InChIKey
LQOJJEBLPULPJO-ZAMGYDSWSA-N- Molecular formula
- C15H16ClF3N2OS
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0623965
Names & identifiers
- Preferred name
- (R)-N-((S)-1-(3-Chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
- IUPAC
- (R)-N-[(1S)-1-(3-chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
Names & synonyms
1509899-70-0(R)-N-((S)-1-(3-Chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamideLQOJJEBLPULPJO-ZAMGYDSWSA-NDTXSID801117595(R)-N-[(1S)-1-(3-chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamideF50289(S~2~R)-N-[(1S)-1-(3-Chloroisoquinolin-6-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide[S(R)]-N-[(1S)-1-(3-Chloro-6-isoquinolinyl)-2,2,2-trifluoroethyl]-2-methyl-2-propanesulfinamide
Database identifiers
- CAS
1509899-70-0- PubChem CID
- 89949037
- DTXSID
DTXSID801117595
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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