5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid

HCID 5352CAS 32004-68-5

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

Related reactions

16 records

Linked notes

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