6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide

C20H14F6N2O5S — CID 169250691

IUPAC6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(=O)c(S(N)(=O)=O)c(C)[nH]2)ccc(F)c1F
InChIInChI=1S/C20H14F6N2O5S/c1-8-19(34(27,30)31)14(29)7-13(28-8)9-5-12(22)10(20(24,25)26)6-16(9)33-15-4-3-11(21)17(23)18(15)32-2/h3-7H,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyUBAKPPQRVKUSLF-UHFFFAOYSA-N
MW508.40 g/mol
LogP4.23
Rot. Bonds5

About 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide

6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 169250691) has the molecular formula C20H14F6N2O5S and a molecular weight of 508.40 g/mol. Its IUPAC name is 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID169250691
Molecular FormulaC20H14F6N2O5S
Molecular Weight508.40 g/mol
Exact Mass508.05
IUPAC Name6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(=O)c(S(N)(=O)=O)c(C)[nH]2)ccc(F)c1F
InChIInChI=1S/C20H14F6N2O5S/c1-8-19(34(27,30)31)14(29)7-13(28-8)9-5-12(22)10(20(24,25)26)6-16(9)33-15-4-3-11(21)17(23)18(15)32-2/h3-7H,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyUBAKPPQRVKUSLF-UHFFFAOYSA-N
XLogP4.23
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide (CID 169250691) is 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide is COc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(=O)c(S(N)(=O)=O)c(C)[nH]2)ccc(F)c1F.
What is the InChIKey of 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is UBAKPPQRVKUSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O5S/c1-8-19(34(27,30)31)14(29)7-13(28-8)9-5-12(22)10(20(24,25)26)6-16(9)33-15-4-3-11(21)17(23)18(15)32-2/h3-7H,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide?
6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 508.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 169250691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).