N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide

C14H16N2O3S — CID 47064950

IUPACN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C14H16N2O3S/c1-20(17,18)16-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15-13/h2-9,16H,10-11H2,1H3
InChIKeySGGPYLXZYVHLBI-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.71
Rot. Bonds6

About N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide (PubChem CID 47064950) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
PubChem CID47064950
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C14H16N2O3S/c1-20(17,18)16-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15-13/h2-9,16H,10-11H2,1H3
InChIKeySGGPYLXZYVHLBI-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 60539644
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111131700

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide (CID 47064950) is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide?
The InChIKey is SGGPYLXZYVHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(17,18)16-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15-13/h2-9,16H,10-11H2,1H3.
What are the key properties of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide?
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 47064950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).