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141284-13-1 | 2,4-Hexadienamide, N-[2-[(methylsulfonyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 141284-13-1 Catalog No: AG001G68 MDL No:
Product Description
Catalog Number:
AG001G68
Chemical Name:
2,4-Hexadienamide, N-[2-[(methylsulfonyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
141284-13-1
Molecular Formula:
C13H14F3N3O3S
Molecular Weight:
349.3288
IUPAC Name:
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]hexa-2,4-dienamide
InChI:
InChI=1S/C13H14F3N3O3S/c1-3-4-5-6-11(20)18-10-7-9(13(14,15)16)8-17-12(10)19-23(2,21)22/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChI Key:
KGRLVMKLVFWFAW-UHFFFAOYSA-N
SMILES:
CC=CC=CC(=O)Nc1cc(cnc1NS(=O)(=O)C)C(F)(F)F
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.328g/mol
Monoisotopic Mass:
349.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.7
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