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

C21H18F3N3O4S — CID 123433821

IUPACN-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2)ccn1
InChIInChI=1S/C21H18F3N3O4S/c1-13-11-14(21(22,23)24)3-8-19(13)32(29,30)27-15-4-6-16(7-5-15)31-17-9-10-26-18(12-17)20(28)25-2/h3-12,27H,1-2H3,(H,25,28)
InChIKeyUWRPIKXJEKTSLY-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.36
Rot. Bonds6

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

N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 123433821) has the molecular formula C21H18F3N3O4S and a molecular weight of 465.45 g/mol. Its IUPAC name is N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
PubChem CID123433821
Molecular FormulaC21H18F3N3O4S
Molecular Weight465.45 g/mol
Exact Mass465.10
IUPAC NameN-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2)ccn1
InChIInChI=1S/C21H18F3N3O4S/c1-13-11-14(21(22,23)24)3-8-19(13)32(29,30)27-15-4-6-16(7-5-15)31-17-9-10-26-18(12-17)20(28)25-2/h3-12,27H,1-2H3,(H,25,28)
InChIKeyUWRPIKXJEKTSLY-UHFFFAOYSA-N
XLogP4.36
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.36
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-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide (CID 123433821) is N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is UWRPIKXJEKTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4S/c1-13-11-14(21(22,23)24)3-8-19(13)32(29,30)27-15-4-6-16(7-5-15)31-17-9-10-26-18(12-17)20(28)25-2/h3-12,27H,1-2H3,(H,25,28).
What are the key properties of N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 4.36, 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-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 123433821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).