2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine

C17H15NO4S — CID 22182028

IUPAC2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCOc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H15NO4S/c1-21-17-8-5-13(9-18-17)16-11-22-10-15(16)12-3-6-14(7-4-12)23(2,19)20/h3-11H,1-2H3
InChIKeyZFLPEMWJFPWTDI-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds4

About 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine

2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (PubChem CID 22182028) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
PubChem CID22182028
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCOc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H15NO4S/c1-21-17-8-5-13(9-18-17)16-11-22-10-15(16)12-3-6-14(7-4-12)23(2,19)20/h3-11H,1-2H3
InChIKeyZFLPEMWJFPWTDI-UHFFFAOYSA-N
XLogP3.42
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The IUPAC name of 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (CID 22182028) is 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is COc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The InChIKey is ZFLPEMWJFPWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-17-8-5-13(9-18-17)16-11-22-10-15(16)12-3-6-14(7-4-12)23(2,19)20/h3-11H,1-2H3.
What are the key properties of 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine has a molecular weight of 329.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is sourced from PubChem (CID 22182028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).