Basic information
- Standard SMILES
Cc1c(Cc2ccc(C#N)cc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O- InChIKey
CZFZZIDXTUKTOI-UHFFFAOYSA-N- Molecular formula
- C25H19FN2O4S
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- [3-(2-Benzenesulfonyl-4-cyanobenzyl)-5-fluoro-2-methylindol-1-yl]acetic acid
- IUPAC
- 2-[3-[[2-(benzenesulfonyl)-4-cyanophenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
Names & synonyms
SCHEMBL1465814CZFZZIDXTUKTOI-UHFFFAOYSA-N[3-(2-benzenesulfonyl-4-cyanobenzyl)-5-fluoro-2-methylindol-1-yl]acetic acid
Database identifiers
- PubChem CID
- 58201244
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 859
Related reactions
2 records
Compound notes
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