Chemical Properties of 1-(P-CHLOROPHENYLSULFONYL)-3-PROPYLUREA

InChI

InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)

InChI Key

RKWGIWYCVPQPMF-UHFFFAOYSA-N

Formula

C10H13ClN2O3S

SMILES

CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1

Molecular Weight¹

276.74

Other Names

• 1-(4-Chlorobenzenesulfonyl)-3-propylurea
• 1-(p-Chlorobenzenesulfonyl)-3-propylurea
• 1-(para-chlorophenylsulfonyl)-3-propylurea
• 1-p-Chlorophenyl-3-(propylsulfonyl)urea
• 1-propyl-3-(p-chlorobenzenesulfonyl)urea
• 1-propyl-3-(para-chlorobenzenesulfonyl)urea
• 4-Chloro-4-((propylamino)carbonyl)benzenesulfonamide
• 4-Chloro-N-[(propylamino)-carbonyl]benzenesulfonamide
• 4-chloro-N-(propylcarbamoyl)benzenesulfonamide
• Adiaben
• Asucrol
• Benzenesulfonamide, 4-chloro-N-[(propylamino)carbonyl]-
• Catanil
• Chlorodiabina
• Chloronase
• Chloropropamide
• Chlorpropamid
• Chlorpropamide
• Clorpropamide
• Diabaril
• Diabechlor
• Diabenal
• Diabenese
• Diabeneza
• Diabet-pages
• Diabetoral
• Diabinese
• Diamel Ex
• Dynalase
• Glisema
• Insulase
• Meldian
• Melitase
• Mellinese
• Millinese
• N-(4-Chlorophenylsulfonyl)-N'-propylurea
• N-(p-Chlorobenzenesulfonyl)-N'-propylurea
• N-Propyl-N'-(p-chlorobenzenesulfonyl)urea
• N-Propyl-N'-p-chlorophenylsulfonylcarbamide
• NCI-C01752
• NSC 44634
• Oradian
• P-607
• Stabinol
• Urea, 1-[(p-chlorophenyl)sulfonyl]-3-propyl-
• Urea, 1-propyl-3-(p-chloro-benzenesulfonyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.68	kJ/mol	Joback Calculated Property
log10WS	[-3.41; -3.29]
log10WS	-3.29		Aq. Solubility Prediction
log10WS	-3.41		Aq. Solubility Prediction
logPoct/wat	1.738		Crippen Calculated Property
McVol	189.860	ml/mol	McGowan Calculated Property
Inp	[1717.00; 1720.00]
Inp	1717.00		NIST
Inp	1720.00		NIST
Inp	1717.00		NIST
Inp	1720.00		NIST
Tfus	[401.10; 401.15]	K
Tfus	401.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	401.10	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.62; 553.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.52620e+01
Coefficient B			9.80210e-01
Coefficient C			-5.17660e-04
Coefficient D			6.61600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.62	J/mol×K	273.00	Calculated Property
Cp,gas	310.18	J/mol×K	353.78	Calculated Property
Cp,gas	358.89	J/mol×K	434.56	Calculated Property
Cp,gas	401.98	J/mol×K	515.33	Calculated Property
Cp,gas	439.64	J/mol×K	596.11	Calculated Property
Cp,gas	472.09	J/mol×K	676.89	Calculated Property
Cp,gas	499.54	J/mol×K	757.67	Calculated Property
Cp,gas	522.20	J/mol×K	838.44	Calculated Property
Cp,gas	540.27	J/mol×K	919.22	Calculated Property
Cp,gas	553.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-(P-CHLOROPHENYLSULFONYL)-3-PROPYLUREA.

Mixtures

• Carbon dioxide + 1-(P-CHLOROPHENYLSULFONYL)-3-PROPYLUREA

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Solubility of Tolbutamide and Chlorpropamide in Supercritical Carbon Dioxide
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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