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

C17H15NO3S — CID 22181944

IUPAC2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H15NO3S/c1-12-3-4-14(9-18-12)17-11-21-10-16(17)13-5-7-15(8-6-13)22(2,19)20/h3-11H,1-2H3
InChIKeyOPUDTOXWDRMCLR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.72
Rot. Bonds3

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

2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (PubChem CID 22181944) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
PubChem CID22181944
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H15NO3S/c1-12-3-4-14(9-18-12)17-11-21-10-16(17)13-5-7-15(8-6-13)22(2,19)20/h3-11H,1-2H3
InChIKeyOPUDTOXWDRMCLR-UHFFFAOYSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The IUPAC name of 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (CID 22181944) is 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The canonical SMILES for 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is Cc1ccc(-c2cocc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The InChIKey is OPUDTOXWDRMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-3-4-14(9-18-12)17-11-21-10-16(17)13-5-7-15(8-6-13)22(2,19)20/h3-11H,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine has a molecular weight of 313.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is sourced from PubChem (CID 22181944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).