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141283-89-8 | 2-Propenamide, N-[2-[(ethylsulfonyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 141283-89-8 Catalog No: AG001G69 MDL No:
Product Description
Catalog Number:
AG001G69
Chemical Name:
2-Propenamide, N-[2-[(ethylsulfonyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
141283-89-8
Molecular Formula:
C11H12F3N3O3S
Molecular Weight:
323.2915
IUPAC Name:
N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
InChI:
InChI=1S/C11H12F3N3O3S/c1-3-9(18)16-8-5-7(11(12,13)14)6-15-10(8)17-21(19,20)4-2/h3,5-6H,1,4H2,2H3,(H,15,17)(H,16,18)
InChI Key:
DNAGSIXLHIUJLZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(cnc1NS(=O)(=O)CC)C(F)(F)F
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.29g/mol
Monoisotopic Mass:
323.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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