Basic information
- Standard SMILES
O=C(N[C@@H](c1ccc(F)cc1F)C(F)(F)F)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12- InChIKey
PJLGMPRYAWJQJP-NRFANRHFSA-N- Molecular formula
- C23H14BrF5N4O3S
- Average molar mass
- 601.3 g/mol
- Monoisotopic mass
- 599.98901
Names & identifiers
- Preferred name
- (S)-4-Bromo-N-[1-(2,4-difluoro-phenyl)-2,2,2-trifluoroethyl]-2-(quinoxaline-5-sulfonylamino)-benzamide
- IUPAC
- 4-bromo-N-[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
Names & synonyms
(S)-4-Bromo-N-[1-(2,4-difluoro-phenyl)-2,2,2-trifluoroethyl]-2-(quinoxaline-5-sulfonylamino)-benzamideSCHEMBL1891870
Database identifiers
- PubChem CID
- 11250402
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 908
Related reactions
3 records
Compound notes
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