Basic information
- Standard SMILES
CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1- InChIKey
MLKXDPUZXIRXEP-UHFFFAOYSA-N- Molecular formula
- C20H17FO3S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.08824362
Overview
See also: Sulindac (annotation moved to).
Names & identifiers
- Preferred name
- 5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
- IUPAC
- 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
Names & synonyms
32004-68-55-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1h-indene-3-acetic acidRefChem:10729242-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acidC20H17FO3SR-Sulindac SulfoxideSulindac EP Impurity As20071H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acidSpectrum_001026
Show more names
Prestwick0_000073Prestwick1_000073Spectrum2_001326Spectrum3_001365Spectrum4_000876SCHEMBL4203KBioGR_001571KBioGR_002320
Database identifiers
- CAS
32004-68-5- PubChem CID
- 5352
- DTXSID
DTXSID801383081- EC Number
- 250-893-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 616
Related reactions
16 records
Linked notes
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