Chemical Properties of Bumetanide

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
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Physical Properties

Property Value Unit Source
ΔfusH° 59.71 kJ/mol Joback Calculated Property
log10WS [-4.12; -3.56]   Show Hide
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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [370.85; 821.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.11430e+01
Coefficient B1.44181e+00
Coefficient C-7.50280e-04
Coefficient D9.89000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 370.85 J/mol×K 273.00 Calculated Property
Cp,gas 451.70 J/mol×K 353.78 Calculated Property
Cp,gas 524.12 J/mol×K 434.56 Calculated Property
Cp,gas 588.44 J/mol×K 515.33 Calculated Property
Cp,gas 644.96 J/mol×K 596.11 Calculated Property
Cp,gas 694.00 J/mol×K 676.89 Calculated Property
Cp,gas 735.87 J/mol×K 757.67 Calculated Property
Cp,gas 770.88 J/mol×K 838.44 Calculated Property
Cp,gas 799.34 J/mol×K 919.22 Calculated Property
Cp,gas 821.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Trimethylsilyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate. Trimethylsilyl 3-(aminosulfonyl)-5-[butyl(trimethylsilyl)amino]-4-phenoxybenzoate. norbormide. Retroisosensine. Retroisosenine. Cefmetazole. Dehydrojaconine. 3-propionyl-morphine. Deserpidine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. DIHYDROERGOKRYPTINE. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Brucine.

Find more compounds similar to Bumetanide.

Sources

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