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

C20H24F2N2O4S — CID 118021499

IUPACN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O4S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-29(3,26)27)4-5-18(17)28-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3
InChIKeyALSIECKYYMKGIS-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.69
Rot. Bonds5

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

N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 118021499) has the molecular formula C20H24F2N2O4S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID118021499
Molecular FormulaC20H24F2N2O4S
Molecular Weight426.49 g/mol
Exact Mass426.14
IUPAC NameN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O4S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-29(3,26)27)4-5-18(17)28-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3
InChIKeyALSIECKYYMKGIS-UHFFFAOYSA-N
XLogP3.69
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (CID 118021499) is N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O.
What is the InChIKey of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is ALSIECKYYMKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-29(3,26)27)4-5-18(17)28-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3.
What are the key properties of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 118021499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).