N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide

C20H16F3N3O4S — CID 131953273

IUPACN-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C20H16F3N3O4S/c1-24-19(27)18-12-16(9-10-25-18)30-15-7-5-14(6-8-15)26-31(28,29)17-4-2-3-13(11-17)20(21,22)23/h2-12,26H,1H3,(H,24,27)
InChIKeyLQCBWNOXFFULDZ-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.05
Rot. Bonds6

About N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 131953273) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
PubChem CID131953273
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC NameN-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C20H16F3N3O4S/c1-24-19(27)18-12-16(9-10-25-18)30-15-7-5-14(6-8-15)26-31(28,29)17-4-2-3-13(11-17)20(21,22)23/h2-12,26H,1H3,(H,24,27)
InChIKeyLQCBWNOXFFULDZ-UHFFFAOYSA-N
XLogP4.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide (CID 131953273) is N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is LQCBWNOXFFULDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c1-24-19(27)18-12-16(9-10-25-18)30-15-7-5-14(6-8-15)26-31(28,29)17-4-2-3-13(11-17)20(21,22)23/h2-12,26H,1H3,(H,24,27).
What are the key properties of N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 131953273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).