Chemical Properties of Bumetanide

InChI

InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)

InChI Key

MAEIEVLCKWDQJH-UHFFFAOYSA-N

Formula

C17H20N2O5S

SMILES

CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

Molecular Weight¹

364.42

• 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°	-395.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-718.68	kJ/mol	Joback Calculated Property
ΔfusH°	55.25	kJ/mol	Joback Calculated Property
ΔvapH°	121.52	kJ/mol	Joback Calculated Property
log10WS	[-4.12; -3.56]
log10WS	-4.12		Aq. Sol...
log10WS	-3.56		Rytting...
logPoct/wat	3.036		Crippen Calculated Property
McVol	264.230	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Tboil	995.61	K	Joback Calculated Property
Tc	1224.23	K	Joback Calculated Property
Tfus	503.65	K	Aq. Sol...
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[817.45; 847.74]	J/mol×K	[995.61; 1224.23]
Cp,gas	817.45	J/mol×K	995.61	Joback Calculated Property
Cp,gas	825.81	J/mol×K	1033.71	Joback Calculated Property
Cp,gas	832.81	J/mol×K	1071.82	Joback Calculated Property
Cp,gas	838.48	J/mol×K	1109.92	Joback Calculated Property
Cp,gas	842.84	J/mol×K	1148.02	Joback Calculated Property
Cp,gas	845.92	J/mol×K	1186.13	Joback Calculated Property
Cp,gas	847.74	J/mol×K	1224.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bumetanide.

Sources

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

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.