3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine

C16H12FNO2S2 — CID 18183377

IUPAC3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2cccnc2)cc1F
InChIInChI=1S/C16H12FNO2S2/c1-22(19,20)16-5-4-11(7-15(16)17)13-9-21-10-14(13)12-3-2-6-18-8-12/h2-10H,1H3
InChIKeyNBJDIZMXJFBOGK-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.02
Rot. Bonds3

About 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine

3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine (PubChem CID 18183377) has the molecular formula C16H12FNO2S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine
PubChem CID18183377
Molecular FormulaC16H12FNO2S2
Molecular Weight333.41 g/mol
Exact Mass333.03
IUPAC Name3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2cccnc2)cc1F
InChIInChI=1S/C16H12FNO2S2/c1-22(19,20)16-5-4-11(7-15(16)17)13-9-21-10-14(13)12-3-2-6-18-8-12/h2-10H,1H3
InChIKeyNBJDIZMXJFBOGK-UHFFFAOYSA-N
XLogP4.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine?
The IUPAC name of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine (CID 18183377) is 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine is CS(=O)(=O)c1ccc(-c2cscc2-c2cccnc2)cc1F.
What is the InChIKey of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine?
The InChIKey is NBJDIZMXJFBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S2/c1-22(19,20)16-5-4-11(7-15(16)17)13-9-21-10-14(13)12-3-2-6-18-8-12/h2-10H,1H3.
What are the key properties of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine?
3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine has a molecular weight of 333.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 18183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).