Basic information
- Standard SMILES
Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)O)n(C2CCC2)n1- InChIKey
RLXYOYBSFCUABF-ZBFHGGJFSA-N- Molecular formula
- C19H22ClN3O4S
- Average molar mass
- 423.9 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-(2-cyclobutyl-5-methyl-2H-pyrazol-3-yl)-pyrrolidine-2-carboxylic Acid
- IUPAC
- (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(2-cyclobutyl-5-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL694456RLXYOYBSFCUABF-ZBFHGGJFSA-N(2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-(2-cyclobutyl-5-methyl-2H-pyrazol-3-yl)-pyrrolidine-2-carboxylic Acid
Database identifiers
- PubChem CID
- 66770348
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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