Basic information
- Standard SMILES
N#CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1- InChIKey
UCIULDMWUORYGF-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2S
- Average molar mass
- 284.76 g/mol
- Monoisotopic mass
- 284.0386265
Names & identifiers
- Preferred name
- 3-Cyanomethyl-1-(4-chlorophenylsulfonyl)pyrrolidine
- IUPAC
- 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]acetonitrile
Names & synonyms
SCHEMBL8782573UCIULDMWUORYGF-UHFFFAOYSA-N3-Cyanomethyl-1-(4-chlorophenylsulfonyl)pyrrolidine
Database identifiers
- PubChem CID
- 20078166
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 429
Related reactions
3 records
Compound notes
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