CAS No.127-74-2,4'-(pyrimidin-2-ylsulphamoyl)acetanilide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127-74-2
Name:	4'-(pyrimidin-2-ylsulphamoyl)acetanilide
Article Data:	24

Formula:	C₁₂H₁₂N₄O₃S
Molecular Weight:	292.318
Synonyms:	Acetanilide,4'-(2-pyrimidinylsulfamoyl)- (6CI,7CI,8CI);2-[(p-Acetamidophenyl)sulfonamido]pyrimidine;4N-Acetylsulfadiazine;4'-(2-Pyrimidinylsulfamoyl)acetanilide;Acetylsulfadiazine;N-Acetylsulfadiazine;N4-Acetylsulfadiazine;N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acetamide;
EINECS:	204-862-0
Density:	1.475 g/cm³
Melting Point:	260-262?C
Solubility:	Water solubility: 150 mg/L
PSA:	109.43000
LogP:	2.46260

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Specification

The Acetamide,N-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-, with the CAS registry number 127-74-2, is also known as 2-[(p-Acetamidophenyl)sulfonamido]pyrimidine. This chemical's molecular formula is C₁₂H₁₂N₄O₃S and molecular weight is 292.31. What's more, its systematic name is N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acetamide and its EINECS number is 204-862-0. Besides, it belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Sulfur & Selenium Compounds.

Physical properties of Acetamide,N-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.56; (8)ACD/KOC (pH 7.4): 7.52; (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: 1.653; (14)Molar Refractivity: 72.55 cm³; (15)Molar Volume: 198 cm³; (16)Polarizability: 28.76×10^-24cm³; (17)Surface Tension: 77.7 dyne/cm; (18)Density: 1.475 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
(2)InChI: InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
(3)InChIKey: NJIZUWGMNCUKGU-UHFFFAOYSA-N