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Name |
Acetamide,N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- |
EINECS | 204-861-5 |
CAS No. | 127-73-1 | Density | 1.429 g/cm3 |
PSA | 109.43000 | LogP | 2.77100 |
Solubility | 367.6mg/L(37 oC) | Melting Point |
250-252°C |
Formula | C13H14N4O3S | Boiling Point | N/A |
Molecular Weight | 306.345 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 19 |
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