2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine

C17H15NO4S — CID 167617030

IUPAC2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccc(OCc3ccoc3)n2)cc1
InChIInChI=1S/C17H15NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h2-11H,12H2,1H3
InChIKeyLWUONEQLCUNZKA-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.32
Rot. Bonds5

About 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine

2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine (PubChem CID 167617030) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
PubChem CID167617030
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccc(OCc3ccoc3)n2)cc1
InChIInChI=1S/C17H15NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h2-11H,12H2,1H3
InChIKeyLWUONEQLCUNZKA-UHFFFAOYSA-N
XLogP3.32
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562
N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
CID 167628850
2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020
N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
CID 167642388
4-(4-methylsulfonylphenyl)pyrimidine-2-carbonitrile
CID 116900877
1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine
CID 170889290
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984
2-ethyl-2-methyl-4-(6-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385609
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine (CID 167617030) is 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine is CS(=O)(=O)c1ccc(-c2cccc(OCc3ccoc3)n2)cc1.
What is the InChIKey of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine?
The InChIKey is LWUONEQLCUNZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h2-11H,12H2,1H3.
What are the key properties of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine?
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine has a molecular weight of 329.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 167617030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).