Basic information
- Standard SMILES
O=C(O)COCC1CCCCN1S(=O)(=O)c1ccc(Br)cc1- InChIKey
SGKFKVPVHURIOM-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO5S
- Average molar mass
- 392.27 g/mol
Names & identifiers
- Preferred name
- 2-[[1-(4-Bromophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
- IUPAC
- 2-[[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
Names & synonyms
SCHEMBL2569069
Database identifiers
- PubChem CID
- 67455656
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Related reactions
3 records
Compound notes
Loading…