4-(4-Chloro-benzenesulfonyl)-3-methyl-4-(2,3,6-trifluoro-phenyl)-butan-1-ol
Basic information
- Standard SMILES
CC(CCO)C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
GGLDDHMWUNEEGW-UHFFFAOYSA-N- Molecular formula
- C17H16ClF3O3S
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0460777
Names & identifiers
- Preferred name
- 4-(4-Chloro-benzenesulfonyl)-3-methyl-4-(2,3,6-trifluoro-phenyl)-butan-1-ol
- IUPAC
- 4-(4-chlorophenyl)sulfonyl-3-methyl-4-(2,3,6-trifluorophenyl)butan-1-ol
Names & synonyms
SCHEMBL1363535GGLDDHMWUNEEGW-UHFFFAOYSA-N4-(4-Chloro-benzenesulfonyl)-3-methyl-4-(2,3,6-trifluoro-phenyl)-butan-1-ol
Database identifiers
- PubChem CID
- 58950657
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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