Basic information
- Standard SMILES
O=C(O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
KOFLODYJSIMXGT-VXGBXAGGSA-N- Molecular formula
- C13H16ClNO4S
- Average molar mass
- 317.79 g/mol
Names & identifiers
- Preferred name
- Trans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid
- IUPAC
- trans-(1R,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL6079023KOFLODYJSIMXGT-VXGBXAGGSA-NTrans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 69656371
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
Loading…