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

Name
N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulphonyl]phenyl]acetamide
EINECS 204-861-5
CAS No. 127-73-1
Article Data19
CAS DataBase
Density 1.429 g/cm³
Solubility 367.6mg/L(37 oC)
Melting Point 250-252°C
Formula C₁₃H₁₄N₄O₃S
Boiling Point
Molecular Weight 306.345
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetanilide,4'-[(4-methyl-2-pyrimidinyl)sulfamoyl]- (6CI,7CI,8CI);4'-[(4-Methyl-2-pyrimidinyl)sulfamoyl]acetanilide;Acetylsulfamerazine;N4-Acetylsulfamerazine;N-{4-[(4-Methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide;
PSA 109.43000
LogP 2.77100

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

The Acetamide,N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-, with the CAS registry number 127-73-1, is also known as 4'-[(4-Methyl-2-pyrimidinyl)sulfamoyl]acetanilide. Its EINECS number is 204-861-5. This chemical's molecular formula is C₁₃H₁₄N₄O₃S and molecular weight is 306.34. What's more, its systematic name is N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide. It is used as a main metabolite of antibacterial drug sulfamerazine.

Physical properties of Acetamide,N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.66; (8)ACD/KOC (pH 7.4): 22.37; (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: 1.639; (14)Molar Refractivity: 77.17 cm³; (15)Molar Volume: 214.3 cm³; (16)Polarizability: 30.59×10^-24cm³; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.429 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1nc(ccn1)C)c2ccc(NC(=O)C)cc2
(2)InChI: InChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)
(3)InChIKey: PHFJZKMLXDFUNB-UHFFFAOYSA-N

Product Name

N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulphonyl]phenyl]acetamide

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

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