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

• ω : Acentric Factor.
• 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).
• 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	0.8672		Relay (... Calculated Property
ΔfG°	-950.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1020.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.04	kJ/mol	Joback Calculated Property
ΔvapH°	147.41	kJ/mol	Relay (... Calculated Property
IE	8.44	eV	Relay (... 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	729.32	K	Relay (... Calculated Property
Tc	1081.57	K	Relay (... Calculated Property
Tfus	483.08	K	Relay (... Calculated Property
Vc	0.896	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• 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.