2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C20H15F5N4O3S — CID 167198263

IUPAC2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILES[H]N=S(C)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2Oc2ccc(C(F)F)nc2)c1
InChIInChI=1S/C20H15F5N4O3S/c1-33(26,31)14-4-2-3-12(8-14)29-18(30)15-7-11(20(23,24)25)9-28-19(15)32-13-5-6-16(17(21)22)27-10-13/h2-10,17,26H,1H3,(H,29,30)
InChIKeyJAFXDUAKILPRCX-UHFFFAOYSA-N
MW486.42 g/mol
LogP5.51
Rot. Bonds6

About 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167198263) has the molecular formula C20H15F5N4O3S and a molecular weight of 486.42 g/mol. Its IUPAC name is 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167198263
Molecular FormulaC20H15F5N4O3S
Molecular Weight486.42 g/mol
Exact Mass486.08
IUPAC Name2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILES[H]N=S(C)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2Oc2ccc(C(F)F)nc2)c1
InChIInChI=1S/C20H15F5N4O3S/c1-33(26,31)14-4-2-3-12(8-14)29-18(30)15-7-11(20(23,24)25)9-28-19(15)32-13-5-6-16(17(21)22)27-10-13/h2-10,17,26H,1H3,(H,29,30)
InChIKeyJAFXDUAKILPRCX-UHFFFAOYSA-N
XLogP5.51
TPSA105.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.42
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150197509
N-(3-methylsulfonylphenyl)-2-[3-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167197826
N-(3-methylsulfonylphenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167199074
2-(4-tert-butyl-2-methylphenoxy)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167198447
2-imidazo[1,2-a]pyridin-7-yloxy-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167199072
2-(1-chloroisoquinolin-4-yl)oxy-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167198789
3-(2-chloro-4-fluorophenoxy)-6-(difluoromethyl)-N-[3-(methylsulfonimidoyl)phenyl]pyridazine-4-carboxamide
CID 170650031
2-[(4-fluoro-2-methylphenyl)methoxy]-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167199071
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151756936
5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 169124466
3-[4-(fluoromethoxy)phenoxy]-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170556624
N-(3-methylsulfonylphenyl)-3-[4-(2,2,2-trifluoroethoxy)phenoxy]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170556602

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 167198263) is 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is [H]N=S(C)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2Oc2ccc(C(F)F)nc2)c1.
What is the InChIKey of 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JAFXDUAKILPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3S/c1-33(26,31)14-4-2-3-12(8-14)29-18(30)15-7-11(20(23,24)25)9-28-19(15)32-13-5-6-16(17(21)22)27-10-13/h2-10,17,26H,1H3,(H,29,30).
What are the key properties of 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167198263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).