3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine

C16H13NO3S — CID 22181982

IUPAC3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cocc2-c2cccnc2)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-6-4-12(5-7-14)15-10-20-11-16(15)13-3-2-8-17-9-13/h2-11H,1H3
InChIKeyCTRUJLRRYQDNOK-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.41
Rot. Bonds3

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

3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (PubChem CID 22181982) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
PubChem CID22181982
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cocc2-c2cccnc2)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-6-4-12(5-7-14)15-10-20-11-16(15)13-3-2-8-17-9-13/h2-11H,1H3
InChIKeyCTRUJLRRYQDNOK-UHFFFAOYSA-N
XLogP3.41
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The IUPAC name of 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (CID 22181982) is 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.
What is the SMILES notation for 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The canonical SMILES for 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is CS(=O)(=O)c1ccc(-c2cocc2-c2cccnc2)cc1.
What is the InChIKey of 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The InChIKey is CTRUJLRRYQDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-21(18,19)14-6-4-12(5-7-14)15-10-20-11-16(15)13-3-2-8-17-9-13/h2-11H,1H3.
What are the key properties of 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine has a molecular weight of 299.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is sourced from PubChem (CID 22181982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).