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Basic information
- Standard SMILES
O=S(=O)(Nc1cscn1)c1cc(Cl)c(O[C@H]2CCCC[C@@H]2n2ccnc2)cc1F- InChIKey
DZUXYWVQSVQBNT-GJZGRUSLSA-N- Molecular formula
- C18H18ClFN4O3S2
- Average molar mass
- 456.9 g/mol
- Monoisotopic mass
- 456.0492887
Names & identifiers
- Preferred name
- 5-Chloro-2-fluoro-4-{[(1S*,2S*)-2-(1H-imidazol-1-yl)cyclohexyl]oxy}-N-(1,3-thiazol-4-yl)benzenesulfonamide
- IUPAC
- 5-chloro-2-fluoro-4-[(1S,2S)-2-imidazol-1-ylcyclohexyl]oxy-N-(1,3-thiazol-4-yl)benzenesulfonamide
Names & synonyms
CHEMBL5807389SCHEMBL15465507DZUXYWVQSVQBNT-GJZGRUSLSA-NBDBM258111US9493448, 135-Chloro-2-fluoro-4-{[(1S*,2S*)-2-(1H-imidazol-1-yl)cyclohexyl]oxy}-N-(1,3-thiazol-4-yl)benzenesulfonamide
Database identifiers
- PubChem CID
- 89963191
- ChEMBL
CHEMBL5807389
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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