Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2C(CCCl)CCC2c2ccc(F)cc2)cc1- InChIKey
ZDYRVWDEKOOXPL-UHFFFAOYSA-N- Molecular formula
- C19H21ClFNO2S
- Average molar mass
- 381.9 g/mol
Names & identifiers
- Preferred name
- (2RS,5RS)-2-(2-chloro-ethyl)-5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidine
- IUPAC
- 2-(2-chloroethyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
Names & synonyms
SCHEMBL5886100ZDYRVWDEKOOXPL-UHFFFAOYSA-N(2RS,5RS)-2-(2-chloro-ethyl)-5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidine
Database identifiers
- PubChem CID
- 22250484
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
Related reactions
18 records
Compound notes
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