Chemical Properties of Chlorthalidone

InChI

InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)

InChI Key

JIVPVXMEBJLZRO-UHFFFAOYSA-N

Formula

C14H11ClN2O4S

SMILES

NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl

Molecular Weight¹

338.77

Other Names

• (.+/-.)-Chlorthalidone
• (.+/-.)-Hygroton
• 1-Keto-3-(3'-sulfamyl-4'-chlorophenyl)-3-hydroxyisoindoline
• 1-Oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxyisoindoline
• 2-Chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide
• 2-Chloro-5-(1-hydroxy-3-oxo-1H-isoindolinyl)benzenesulfonamide
• 3-(4'-Chloro-3'-sulfamoylphenyl)-3-hydroxyphthalimidine
• 3-Hydroxy-3-(4-chloro-3-sulfamylphenyl)phthalimidine
• Benzenesulfonamide, 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)-
• Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)-
• Chlorothalidone
• Chlorphthalidolone
• Chlorphthalidone
• Chlortalidone
• Chlorthalidon
• Demi-regroton
• G 33182
• Hydro-Long
• Hygroton
• Igroton
• Isoren
• NSC-69200
• Natriuran
• Oksodolin
• Oradil
• Oxodolin
• Phthalamodine
• Phthalamudine
• Racemic chlorthalidone
• Renon
• Saluretin
• Tenoretic
• Thalitone
• Zambesil

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.73	kJ/mol	Joback Calculated Property
log10WS	[-3.45; -3.39]
log10WS	-3.39		Aq. Solubility Prediction
log10WS	-3.45		Estimated Solubility
log10WS	-3.45		Rytting (2005)
logPoct/wat	0.924		Crippen Calculated Property
McVol	217.470	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.02; 644.99]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.37200e+01
Coefficient B			1.39489e+00
Coefficient C			-1.07588e-03
Coefficient D			3.49700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.02	J/mol×K	273.00	Calculated Property
Cp,gas	350.59	J/mol×K	353.78	Calculated Property
Cp,gas	407.97	J/mol×K	434.56	Calculated Property
Cp,gas	457.25	J/mol×K	515.33	Calculated Property
Cp,gas	499.55	J/mol×K	596.11	Calculated Property
Cp,gas	535.97	J/mol×K	676.89	Calculated Property
Cp,gas	567.62	J/mol×K	757.67	Calculated Property
Cp,gas	595.61	J/mol×K	838.44	Calculated Property
Cp,gas	621.03	J/mol×K	919.22	Calculated Property
Cp,gas	644.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Chlorthalidone.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.