Basic information
- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)C(c1c(F)ccc(F)c1F)C(CO)CO- InChIKey
AZRTUILCMDMPPZ-UHFFFAOYSA-N- Molecular formula
- C16H14ClF3O4S
- Average molar mass
- 394.8 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Chloro-benzenesulfonyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol
- IUPAC
- 2-[(4-chlorophenyl)sulfonyl-(2,3,6-trifluorophenyl)methyl]propane-1,3-diol
Names & synonyms
SCHEMBL1364856AZRTUILCMDMPPZ-UHFFFAOYSA-N2-[(4-Chloro-benzenesulfonyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol
Database identifiers
- PubChem CID
- 58950708
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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