Chemical Properties of Chlorthalidone (CAS 77-36-1)

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

CAS

77-36-1

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-267.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.02	kJ/mol	Joback Calculated Property
ΔfusH°	44.73	kJ/mol	Joback Calculated Property
ΔvapH°	113.40	kJ/mol	Joback Calculated Property
log10WS	[-3.45; -3.39]
log10WS	-3.39		Aq. Sol...
log10WS	-3.45		Estimat...
log10WS	-3.45		Rytting...
logPoct/wat	0.924		Crippen Calculated Property
McVol	217.470	ml/mol	McGowan Calculated Property
Pc	4802.50	kPa	Joback Calculated Property
Tboil	961.29	K	Joback Calculated Property
Tc	1214.28	K	Joback Calculated Property
Tfus	765.59	K	Joback Calculated Property
Vc	0.826	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.62; 709.82]	J/mol×K	[961.29; 1214.28]
Cp,gas	633.62	J/mol×K	961.29	Joback Calculated Property
Cp,gas	646.00	J/mol×K	1003.46	Joback Calculated Property
Cp,gas	658.30	J/mol×K	1045.62	Joback Calculated Property
Cp,gas	670.67	J/mol×K	1087.79	Joback Calculated Property
Cp,gas	683.28	J/mol×K	1129.95	Joback Calculated Property
Cp,gas	696.28	J/mol×K	1172.12	Joback Calculated Property
Cp,gas	709.82	J/mol×K	1214.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorthalidone.

Sources

• 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

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