Basic information
- Standard SMILES
O=S(=O)(c1ccc(CCl)cc1)N1CCCC1c1ccc(F)cc1- InChIKey
GOHGDBAHAKTVDW-UHFFFAOYSA-N- Molecular formula
- C17H17ClFNO2S
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- (RS)-2-(4-fluoro-phenyl)-1-(4-chloromethyl-benzenesulfonyl)-pyrrolidine
- IUPAC
- 1-[4-(chloromethyl)phenyl]sulfonyl-2-(4-fluorophenyl)pyrrolidine
Names & synonyms
SCHEMBL6178067GOHGDBAHAKTVDW-UHFFFAOYSA-N(RS)-2-(4-fluoro-phenyl)-1-(4-chloromethyl-benzenesulfonyl)-pyrrolidine
Database identifiers
- PubChem CID
- 21706775
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
3 records
Compound notes
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