Chemical Properties of Bendroflumethiazide

InChI

InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)

InChI Key

HDWIHXWEUNVBIY-UHFFFAOYSA-N

Formula

C15H14F3N3O4S2

SMILES

NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O

Molecular Weight¹

421.42

Other Names

• 1,1-dioxo-3-(phenylmethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide

• 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°	-950.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1238.62	kJ/mol	Joback Calculated Property
ΔfusH°	66.04	kJ/mol	Joback Calculated Property
ΔvapH°	112.28	kJ/mol	Joback Calculated Property
log10WS	[-3.89; -3.59]
log10WS	-3.59		Aq. Sol...
log10WS	-3.89		Aq. Sol...
log10WS	-3.59		Estimat...
logPoct/wat	1.625		Crippen Calculated Property
McVol	255.260	ml/mol	McGowan Calculated Property
Pc	3867.48	kPa	Joback Calculated Property
Tboil	860.73	K	Joback Calculated Property
Tc	1088.40	K	Joback Calculated Property
Tfus	787.31	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.43; 801.54]	J/mol×K	[860.73; 1088.40]
Cp,gas	752.43	J/mol×K	860.73	Joback Calculated Property
Cp,gas	763.86	J/mol×K	898.68	Joback Calculated Property
Cp,gas	773.93	J/mol×K	936.62	Joback Calculated Property
Cp,gas	782.68	J/mol×K	974.57	Joback Calculated Property
Cp,gas	790.16	J/mol×K	1012.51	Joback Calculated Property
Cp,gas	796.43	J/mol×K	1050.46	Joback Calculated Property
Cp,gas	801.54	J/mol×K	1088.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bendroflumethiazide.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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