Basic information
- Standard SMILES
COC(=O)C1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1- InChIKey
BNSOPXHDOLHEQV-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2NO4S
- Average molar mass
- 338.2 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylate
- IUPAC
- methyl 1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL3901901AKOS009125075
Database identifiers
- PubChem CID
- 5163010
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Related reactions
4 records
Compound notes
Loading…