Chemical Properties of Metolazone (CAS 17560-51-9)

InChI

InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)

InChI Key

AQCHWTWZEMGIFD-UHFFFAOYSA-N

Formula

C16H16ClN3O3S

SMILES

Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C

Molecular Weight¹

365.83

CAS

17560-51-9

Other Names

• 2-Methyl-3-o-tolyl-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone
• 6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-methyl-4-oxo-3-o-tolyl-
• 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-
• 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl-
• 7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide
• 7-Chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl-6-quinazolinesulfonamide
• 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
• Diulo
• Metalazone
• Metalozone
• Metenix
• Mykrox
• Oldren
• SR 720-22
• Xuret
• Zaroxolyn

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.8513		Relay (1.0) Calculated Property
ΔfG°	13.86	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-336.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	[-3.78; -3.78]
log10WS	-3.78		Aq. Solubility Prediction
log10WS	-3.78		Estimated Solubility
logPoct/wat	2.714		Crippen Calculated Property
McVol	249.760	ml/mol	McGowan Calculated Property
Pc	2082.24	kPa	Relay (1.0-beta) Calculated Property
Tboil	716.54	K	Relay (1.0) Calculated Property
Tc	1111.97	K	Relay (1.0) Calculated Property
Tfus	527.82	K	Aq. Solubility Prediction
Vc	0.873	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Metolazone.

Sources

• Cheméo Relay (1.0)
• 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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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