Acetamide,N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]- CAS NO.21312-10-7

The Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-, with the CAS registry number of 21312-10-7, is also known as 4-Acetylamino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide. It belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Isotope Labeled Compounds. Its EINECS registry number is 244-330-5. This chemical's molecular formula is C₁₂H₁₃N₃O₄S and molecular weight is 295.31. What's more, its IUPAC name is N-[4-[(5-Methyl-1, 2-oxazol-3-yl)sulfamoyl]phenyl]acetamide. This chemical's classification code is Drug / Therapeutic Agent. Additionally, it's a metabolite of Sulfamethoxazole. 

Physical properties about Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 6.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.01; (8)ACD/KOC (pH 7.4): 8.02; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92.1 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 71.85 cm³; (15)Molar Volume: 203.9 cm³; (16)Polarizability: 28.48×10^-24 cm³; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.448 g/cm³.

You can still convert the following data into molecular structure: 
(1) SMILES: O=S(=O)(Nc1noc(c1)C)c2ccc(NC(=O)C)cc2
(2) InChI: InChI=1/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
(3) InChIKey: GXPIUNZCALHVBA-UHFFFAOYAZ

The toxicity data is as follows: 

The Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-, with the CAS registry number of 21312-10-7, is also known as 4-Acetylamino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide. It belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Isotope Labeled Compounds. Its EINECS registry number is 244-330-5. This chemical's molecular formula is C₁₂H₁₃N₃O₄S and molecular weight is 295.31. What's more, its IUPAC name is N-[4-[(5-Methyl-1, 2-oxazol-3-yl)sulfamoyl]phenyl]acetamide. This chemical's classification code is Drug / Therapeutic Agent. Additionally, it's a metabolite of Sulfamethoxazole. 

Physical properties about Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 6.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.01; (8)ACD/KOC (pH 7.4): 8.02; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92.1 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 71.85 cm³; (15)Molar Volume: 203.9 cm³; (16)Polarizability: 28.48×10^-24 cm³; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.448 g/cm³.

You can still convert the following data into molecular structure: 
(1) SMILES: O=S(=O)(Nc1noc(c1)C)c2ccc(NC(=O)C)cc2
(2) InChI: InChI=1/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
(3) InChIKey: GXPIUNZCALHVBA-UHFFFAOYAZ

The toxicity data is as follows: