Home Sulfos 4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoroMethyl)propylidene]aMino]benzenesulfonaMide

4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoroMethyl)propylidene]aMino]benzenesulfonaMide

CAS No.:
1061214-09-2
Catalog Number:
AG008VXW
Molecular Formula:
C17H15F3N2O3S
Molecular Weight:
384.3728
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Product Description
Catalog Number:
AG008VXW
Chemical Name:
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoroMethyl)propylidene]aMino]benzenesulfonaMide
CAS Number:
1061214-09-2
Molecular Formula:
C17H15F3N2O3S
Molecular Weight:
384.3728
IUPAC Name:
4-[[1,1,1-trifluoro-4-(4-methylphenyl)-4-oxobutan-2-ylidene]amino]benzenesulfonamide
InChI:
InChI=1S/C17H15F3N2O3S/c1-11-2-4-12(5-3-11)15(23)10-16(17(18,19)20)22-13-6-8-14(9-7-13)26(21,24)25/h2-9H,10H2,1H3,(H2,21,24,25)
InChI Key:
UZXBSHCYSOVOFX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C/C(=N/c1ccc(cc1)S(=O)(=O)N)/C(F)(F)F
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.076g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.373g/mol
Monoisotopic Mass:
384.076g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties