Basic information
- Standard SMILES
Cc1c(Cc2cccnc2S(=O)(=O)c2cccc(Cl)c2)c2cc(F)ccc2n1CC(=O)O- InChIKey
NDCQQHDGXCANMF-UHFFFAOYSA-N- Molecular formula
- C23H18ClFN2O4S
- Average molar mass
- 472.9 g/mol
Names & identifiers
- Preferred name
- {3-[2-(3-Chlorobenzenesulfonyl)pyridin-3-ylmethyl]-5-fluoro-2-methylindol-1-yl}acetic acid
- IUPAC
- 2-[3-[[2-(3-chlorophenyl)sulfonyl-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
Names & synonyms
SCHEMBL1467394NDCQQHDGXCANMF-UHFFFAOYSA-N{3-[2-(3-chlorobenzenesulfonyl)pyridin-3-ylmethyl]-5-fluoro-2-methylindol-1-yl}acetic acid
Database identifiers
- PubChem CID
- 58201221
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 778
Related reactions
2 records
Compound notes
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