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Basic information
- Standard SMILES
Cc1c(Cc2sccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O- InChIKey
GMJQSSGXXZMFRV-UHFFFAOYSA-N- Molecular formula
- C22H18FNO4S2
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.06612856
Names & identifiers
- Preferred name
- [3-(3-Benzenesulfonylthiophen-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetic acid
- IUPAC
- 2-[3-[[3-(benzenesulfonyl)thiophen-2-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
Names & synonyms
SCHEMBL1466340GMJQSSGXXZMFRV-UHFFFAOYSA-N[3-(3-benzenesulfonylthiophen-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetic acid
Database identifiers
- PubChem CID
- 58201232
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 721
Related reactions
2 records
Compound notes
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