Chemical Properties of Sulfamethoxazole (CAS 723-46-6)

InChI

InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

InChI Key

JLKIGFTWXXRPMT-UHFFFAOYSA-N

Formula

C10H11N3O3S

SMILES

Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1

Molecular Weight¹

253.28

CAS

723-46-6

Other Names

• 3-(para-Aminophenylsulphonamido)-5-methylisoxazole
• 3-Sulfanilamido-5-methylisoxazole
• 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
• 5-Methyl-3-sulfanilamidoisoxazole
• 5-Methyl-3-sulfonylamidoisoxazole
• A047
• Azo-gantanol
• Bactrim
• Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-
• Gantanol
• MS 53
• Metoxal
• N
• N'-(5-Methyl-3-isoxazole)sulfanilamide
• N'-(5-Methyl-3-isoxazolyl)sulfanilamide
• N'-(5-Methylisoxazol-3-yl)sulphanilamide
• N1-(5-Methyl-3-isoxazolyl)sulfanilamide
• Radonil
• Ro 4-2130
• Ro 6-2580/11
• Simsinomin
• Sinomin
• Sulfamethalazole
• Sulfamethoxazol
• Sulfamethylisoxazole
• Sulfanilamide, N'-(5-methyl-3-isoxazolyl)-
• Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-
• Sulfisomezole
• Sulphamethoxazole

• ω : Acentric Factor.
• 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 a given temperature (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).
• I_np : Non-polar retention indices.
• 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
ΔfusH	[33.80; 35.26]	kJ/mol	[440.00; 440.70]
ΔfusH	35.26	kJ/mol	440.00	NIST
ΔfusH	33.80	kJ/mol	440.70	NIST

Similar Compounds

Find more compounds similar to Sulfamethoxazole.

Mixtures

• Sulfamethoxazole + Water
• Sulfamethoxazole + 1-Octanol

Sources

• Cheméo Relay (1.0)
• 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
• Solubilities of Sulfadiazine, Sulfamethazine, Sulfadimethoxine, Sulfamethoxydiazine, Sulfamonomethoxine, Sulfamethoxazole, and Sulfachloropyrazine in Water from (298.15 to 333.15) K
• Solubilities of Sulfamethazine, Sulfadimethoxine, Sulfamethoxydiazine, Sulfamonomethoxine, Sulfamethoxazole, and Sulfaquinoxaline in 1-Octanol from (298.15 to 333.15) K
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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