4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide

C20H15F4N3O4S — CID 131953285

IUPAC4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)c2)ccn1
InChIInChI=1S/C20H15F4N3O4S/c1-25-19(28)18-11-14(7-8-26-18)31-13-5-6-17(16(21)10-13)27-32(29,30)15-4-2-3-12(9-15)20(22,23)24/h2-11,27H,1H3,(H,25,28)
InChIKeyYYIYDYIFGMNJGM-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.19
Rot. Bonds6

About 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 131953285) has the molecular formula C20H15F4N3O4S and a molecular weight of 469.42 g/mol. Its IUPAC name is 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID131953285
Molecular FormulaC20H15F4N3O4S
Molecular Weight469.42 g/mol
Exact Mass469.07
IUPAC Name4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)c2)ccn1
InChIInChI=1S/C20H15F4N3O4S/c1-25-19(28)18-11-14(7-8-26-18)31-13-5-6-17(16(21)10-13)27-32(29,30)15-4-2-3-12(9-15)20(22,23)24/h2-11,27H,1H3,(H,25,28)
InChIKeyYYIYDYIFGMNJGM-UHFFFAOYSA-N
XLogP4.19
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 131953285) is 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is YYIYDYIFGMNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O4S/c1-25-19(28)18-11-14(7-8-26-18)31-13-5-6-17(16(21)10-13)27-32(29,30)15-4-2-3-12(9-15)20(22,23)24/h2-11,27H,1H3,(H,25,28).
What are the key properties of 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 131953285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).