Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- supplier

Name
sulfamethazine-n4-acetyl
EINECS
CAS No. 100-90-3
Article Data17
CAS DataBase
Density 1.389 g/cm³
Solubility 929.1mg/L(37 oC)
Melting Point 249-251 °C
Formula C₁₄H₁₆N₄O₃S
Boiling Point
Molecular Weight 320.372
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetanilide,4'-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]- (6CI,7CI,8CI);Acetanilide, p-(4,6-dimethyl-2-pyrimidylsulfamyl)-(4CI);4'-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]acetanilide;Acetylsulfamethazine;N-Acetylsulfamethazine;N4-Acetylsulfadimidine;N4-Acetylsulfamethazine;N4-Acetylsulmet;
PSA 109.43000
LogP 3.07940

Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- Specification

The Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-, with its CAS registry number 100-90-3, could be also called N-Acetylsulfamethazine. And it has its systematic name of N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide. With its molecular formula of C₁₄H₁₆N₄O₃S, it is a kind of off white solid and it belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Sulfur & Selenium Compounds.

Physical properties of Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 5.92; (6)ACD/BCF (pH 7.4): 2.96; (7)ACD/KOC (pH 5.5): 123.8; (8)ACD/KOC (pH 7.4): 61.87; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.85 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 81.79 cm³; (15)Molar Volume: 230.6 cm³; (16)Polarizability: 32.42×10^-24cm³.

You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(NC(=O)C)cc2
(2)InChI:InChI=1/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18
(3)InChIKey:LJKAKWDUZRJNPJ-UHFFFAOYAQ

Product Name

sulfamethazine-n4-acetyl

Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- Specification

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