N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide

C22H19F5N2O5S — CID 90017358

IUPACN-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(F)(F)F)c1
InChIInChI=1S/C22H19F5N2O5S/c1-3-35(31,32)28-14-5-7-18(34-19-6-4-13(23)8-17(19)24)15(9-14)16-11-29(2)21(30)10-20(16)33-12-22(25,26)27/h4-11,28H,3,12H2,1-2H3
InChIKeyQWMNIEYXRHWCEB-UHFFFAOYSA-N
MW518.46 g/mol
LogP4.83
Rot. Bonds8

About N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 90017358) has the molecular formula C22H19F5N2O5S and a molecular weight of 518.46 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide
PubChem CID90017358
Molecular FormulaC22H19F5N2O5S
Molecular Weight518.46 g/mol
Exact Mass518.09
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(F)(F)F)c1
InChIInChI=1S/C22H19F5N2O5S/c1-3-35(31,32)28-14-5-7-18(34-19-6-4-13(23)8-17(19)24)15(9-14)16-11-29(2)21(30)10-20(16)33-12-22(25,26)27/h4-11,28H,3,12H2,1-2H3
InChIKeyQWMNIEYXRHWCEB-UHFFFAOYSA-N
XLogP4.83
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide (CID 90017358) is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(F)(F)F)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is QWMNIEYXRHWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N2O5S/c1-3-35(31,32)28-14-5-7-18(34-19-6-4-13(23)8-17(19)24)15(9-14)16-11-29(2)21(30)10-20(16)33-12-22(25,26)27/h4-11,28H,3,12H2,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 518.46 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 90017358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).