Basic information
- CAS
646515-61-9- Standard SMILES
Cc1c(S(=O)(=O)c2cccc(Cl)c2)c2cc(F)ccc2n1CC(=O)O- InChIKey
FENOYGMYRQEBGU-UHFFFAOYSA-N- Molecular formula
- C17H13ClFNO4S
- Average molar mass
- 381.8 g/mol
- Monoisotopic mass
- 381.0237849
Names & identifiers
- Preferred name
- 1H-Indole-1-acetic acid, 3-[(3-chlorophenyl)sulfonyl]-5-fluoro-2-methyl-
- IUPAC
- 2-[3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methylindol-1-yl]acetic acid
Names & synonyms
646515-61-91H-Indole-1-acetic acid, 3-[(3-chlorophenyl)sulfonyl]-5-fluoro-2-methyl-SCHEMBL1386840DTXSID50434371[3-(3-Chlorobenzene-1-sulfonyl)-5-fluoro-2-methyl-1H-indol-1-yl]acetic acid
Database identifiers
- CAS
646515-61-9- PubChem CID
- 10022751
- DTXSID
DTXSID50434371
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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