Basic information
- Standard SMILES
COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
OFHRJTNFBSQNCT-UHFFFAOYSA-N- Molecular formula
- C28H29FN2O6S
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- 4-{[N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl}-2-methoxyanilino]-sulfonyl}benzoic acid
- IUPAC
- 4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl-(2-methoxyphenyl)sulfamoyl]benzoic acid
Names & synonyms
SCHEMBL9231803OFHRJTNFBSQNCT-UHFFFAOYSA-N4-{[N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl}-2-methoxyanilino]-sulfonyl}benzoic acid
Database identifiers
- PubChem CID
- 19689927
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 888
Related reactions
2 records
Compound notes
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