Basic information
- Standard SMILES
Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)O)n(Cc2ccccc2)n1- InChIKey
LHVQAJZMVPNFGJ-MJGOQNOKSA-N- Molecular formula
- C22H22ClN3O4S
- Average molar mass
- 459.9 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2-Benzyl-5-methyl-2H-pyrazol-3-yl)-4-(2-chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid
- IUPAC
- (2S,4R)-1-(2-benzyl-5-methylpyrazol-3-yl)-4-(2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL696363LHVQAJZMVPNFGJ-MJGOQNOKSA-N(2S,4R)-1-(2-Benzyl-5-methyl-2H-pyrazol-3-yl)-4-(2-chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid
Database identifiers
- PubChem CID
- 66770922
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
Loading…