N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide

C20H18F2N2O4S — CID 118021564

IUPACN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H18F2N2O4S/c1-12-8-13(11-24(2)20(12)25)16-10-15(23-29(3,26)27)5-7-18(16)28-19-6-4-14(21)9-17(19)22/h4-11,23H,1-3H3
InChIKeyHCYZEVDMLQPGMC-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 118021564) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID118021564
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C20H18F2N2O4S/c1-12-8-13(11-24(2)20(12)25)16-10-15(23-29(3,26)27)5-7-18(16)28-19-6-4-14(21)9-17(19)22/h4-11,23H,1-3H3
InChIKeyHCYZEVDMLQPGMC-UHFFFAOYSA-N
XLogP3.80
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (CID 118021564) is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is HCYZEVDMLQPGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c1-12-8-13(11-24(2)20(12)25)16-10-15(23-29(3,26)27)5-7-18(16)28-19-6-4-14(21)9-17(19)22/h4-11,23H,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 420.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 118021564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).