Chemical Properties of Nimesulide (CAS 51803-78-2)

InChI

InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3

InChI Key

HYWYRSMBCFDLJT-UHFFFAOYSA-N

Formula

C13H12N2O5S

SMILES

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1

Molecular Weight¹

308.31

CAS

51803-78-2

Other Names

• 4'-Nitro-2'-phenoxymethanesulfonanilide
• 4-Nitro-2-phenoxy-methanesulfonanilide
• Aulin
• Flogovital
• Mesulid
• Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-
• Methanesulfonanilide, 4'-nitro-2'-phenoxy-
• N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide
• N-(4-nitro-2-phenoxyphenyl)methanesulfonamide (nimesulide)
• N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide
• Nimed
• Nisulid
• R-805
• Sulidene

• 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_fusH : Enthalpy of fusion at a given temperature (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.53; 627.66]	J/mol×K	[832.37; 1080.24]
Cp,gas	580.53	J/mol×K	832.37	Joback Calculated Property
Cp,gas	591.83	J/mol×K	873.68	Joback Calculated Property
Cp,gas	601.72	J/mol×K	914.99	Joback Calculated Property
Cp,gas	610.22	J/mol×K	956.31	Joback Calculated Property
Cp,gas	617.36	J/mol×K	997.62	Joback Calculated Property
Cp,gas	623.16	J/mol×K	1038.93	Joback Calculated Property
Cp,gas	627.66	J/mol×K	1080.24	Joback Calculated Property
ΔfusH	37.30	kJ/mol	422.50	NIST

Similar Compounds

Find more compounds similar to Nimesulide.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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