Chemical Properties of Sulindac (CAS 38194-50-2)

InChI

InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+

InChI Key

MLKXDPUZXIRXEP-RQZCQDPDSA-N

Formula

C20H17FO3S

SMILES

CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1

Molecular Weight¹

356.41

CAS

38194-50-2

Other Names

• ((1Z)-5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl)acetic acid
• (Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
• (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
• (Z)-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
• (Z)-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid (sulindac)
• 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (Z)-
• Aflodac
• Algocetil
• Arthrocine
• Artribid
• Citireuma
• Clinoril
• Clisundac
• Imbaral
• MK 231
• Mobilin
• Reumofil
• Reumyl
• Sudac
• Sulindac sulfoxide
• Sulinol
• Sulreuma
• cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
• cis-5-Fluoro-2-methyl-1-[(p-methylsulfinyl)benzylidene]indene-3-acetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.85; 819.15]	J/mol×K	[955.73; 1196.50]
Cp,gas	759.85	J/mol×K	955.73	Joback Calculated Property
Cp,gas	771.31	J/mol×K	995.86	Joback Calculated Property
Cp,gas	782.00	J/mol×K	1035.99	Joback Calculated Property
Cp,gas	792.02	J/mol×K	1076.12	Joback Calculated Property
Cp,gas	801.49	J/mol×K	1116.24	Joback Calculated Property
Cp,gas	810.49	J/mol×K	1156.37	Joback Calculated Property
Cp,gas	819.15	J/mol×K	1196.50	Joback Calculated Property
ΔfusH	33.40	kJ/mol	460.20	NIST

Similar Compounds

Find more compounds similar to Sulindac.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Thermal characterization of some polymorph solvates of the anti-inflammatory/anti-cancer sulindac
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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