N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide

C20H19FN2O4S — CID 166628108

IUPACN-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide
SMILESCOc1cccc(-c2cccc(Oc3cccc(CNS(C)(=O)=O)c3)n2)c1F
InChIInChI=1S/C20H19FN2O4S/c1-26-18-10-4-8-16(20(18)21)17-9-5-11-19(23-17)27-15-7-3-6-14(12-15)13-22-28(2,24)25/h3-12,22H,13H2,1-2H3
InChIKeyUKSYZEVZUIODCU-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.74
Rot. Bonds7

About N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide

N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide (PubChem CID 166628108) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide
PubChem CID166628108
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC NameN-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide
SMILESCOc1cccc(-c2cccc(Oc3cccc(CNS(C)(=O)=O)c3)n2)c1F
InChIInChI=1S/C20H19FN2O4S/c1-26-18-10-4-8-16(20(18)21)17-9-5-11-19(23-17)27-15-7-3-6-14(12-15)13-22-28(2,24)25/h3-12,22H,13H2,1-2H3
InChIKeyUKSYZEVZUIODCU-UHFFFAOYSA-N
XLogP3.74
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873414
4-(4-Fluorophenyl)-2-methoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 154644678
4-Methyl-3-(methylsulfonyl)-6-phenyl-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 1488752
N-[[6-tert-butyl-2-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137644630
3-[3,5-Difluoro-6-(3-methanesulfonylamino-phenoxy)-4-methyl-pyridin-2-yloxy]-benzamidine
CID 11059381
N-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)methanesulfonamide
CID 57404883
(2-(4-Fluorophenyl)-6-(3-phenoxyphenoxy)pyridin-4-yl)methanamine trifluoroacetate
CID 122516228
US11072585, Example 57
CID 122516911
[2-(3-Phenylphenoxy)-6-(trifluoromethyl)pyridin-4-yl]methanamine
CID 122516950
[2-(3-Phenylphenoxy)-6-(trifluoromethyl)pyridin-4-yl]methanamine;2,2,2-trifluoroacetic acid
CID 132253085
[2-[3-(Phenoxymethyl)phenoxy]-6-(trifluoromethyl)pyridin-4-yl]methanamine;2,2,2-trifluoroacetic acid
CID 132253154
US11020381, Example 93
CID 137525641

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide (CID 166628108) is N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide is COc1cccc(-c2cccc(Oc3cccc(CNS(C)(=O)=O)c3)n2)c1F.
What is the InChIKey of N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide?
The InChIKey is UKSYZEVZUIODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-26-18-10-4-8-16(20(18)21)17-9-5-11-19(23-17)27-15-7-3-6-14(12-15)13-22-28(2,24)25/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide?
N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide has a molecular weight of 402.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 166628108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).