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_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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.71	kJ/mol	Joback Calculated Property
log10WS	[-4.12; -3.56]
log10WS	-4.12		Aq. Solubility Prediction
log10WS	-3.56		Rytting (2005)
logPoct/wat	3.036		Crippen Calculated Property
McVol	264.230	ml/mol	McGowan Calculated Property
Tfus	503.65	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
Cp,gas	[820.44; 853.57]	J/mol×K	[995.27; 1231.42]
Cp,gas	820.44	J/mol×K	995.27	Joback Calculated Property
Cp,gas	829.27	J/mol×K	1034.63	Joback Calculated Property
Cp,gas	836.74	J/mol×K	1073.99	Joback Calculated Property
Cp,gas	842.86	J/mol×K	1113.34	Joback Calculated Property
Cp,gas	847.68	J/mol×K	1152.70	Joback Calculated Property
Cp,gas	851.24	J/mol×K	1192.06	Joback Calculated Property
Cp,gas	853.57	J/mol×K	1231.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bumetanide.

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
• 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.
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