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

Sulindac

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
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Physical Properties

Property Value Unit Source
ΔfusH° 53.28 kJ/mol Joback Calculated Property
log10WS [-4.35; -3.68]   Show Hide
log10WS -4.35 Aq. Solubility Prediction
log10WS -3.68 Aq. Solubility Prediction
logPoct/wat 4.366 Crippen Calculated Property
McVol 257.110 ml/mol McGowan Calculated Property
Tfus [457.08; 458.15] K Show Hide
Tfus 458.15 K Thermal characterization of some polymorph solvates of the anti-inflammatory/anti-cancer sulindac
Tfus 457.08 K Aq. Solubility Prediction

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
ΔfusH 33.40 kJ/mol 460.20 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [343.21; 772.45] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.17990e+01
Coefficient B1.56903e+00
Coefficient C-1.05888e-03
Coefficient D2.74100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 343.21 J/mol×K 273.00 Calculated Property
Cp,gas 422.90 J/mol×K 353.78 Calculated Property
Cp,gas 492.57 J/mol×K 434.56 Calculated Property
Cp,gas 553.08 J/mol×K 515.33 Calculated Property
Cp,gas 605.31 J/mol×K 596.11 Calculated Property
Cp,gas 650.11 J/mol×K 676.89 Calculated Property
Cp,gas 688.36 J/mol×K 757.67 Calculated Property
Cp,gas 720.92 J/mol×K 838.44 Calculated Property
Cp,gas 748.66 J/mol×K 919.22 Calculated Property
Cp,gas 772.45 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sulindac sulfide. Sulindac methyl derivative. Sulindac, TBDMS. Ethylmorphine, trimethylsilyl ether. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. BUPRENORPHINE. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Hydromorphone, tert-butyldimethylsilyl ether. DIHYDROERGOKRYPTINE.

Find more compounds similar to Sulindac.

Sources

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