3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine

C17H14FNO2S2 — CID 18183340

IUPAC3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine
SMILESCc1ncccc1-c1cscc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H14FNO2S2/c1-11-13(4-3-7-19-11)15-10-22-9-14(15)12-5-6-17(16(18)8-12)23(2,20)21/h3-10H,1-2H3
InChIKeySBQUGRXLVJQPRD-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds3

About 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine

3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine (PubChem CID 18183340) has the molecular formula C17H14FNO2S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine
PubChem CID18183340
Molecular FormulaC17H14FNO2S2
Molecular Weight347.44 g/mol
Exact Mass347.04
IUPAC Name3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine
SMILESCc1ncccc1-c1cscc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H14FNO2S2/c1-11-13(4-3-7-19-11)15-10-22-9-14(15)12-5-6-17(16(18)8-12)23(2,20)21/h3-10H,1-2H3
InChIKeySBQUGRXLVJQPRD-UHFFFAOYSA-N
XLogP4.33
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.33
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]-2-methylpyridine?
The IUPAC name of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine (CID 18183340) is 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine.
What is the SMILES notation for 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine?
The canonical SMILES for 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine is Cc1ncccc1-c1cscc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine?
The InChIKey is SBQUGRXLVJQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S2/c1-11-13(4-3-7-19-11)15-10-22-9-14(15)12-5-6-17(16(18)8-12)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine?
3-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine has a molecular weight of 347.44 g/mol, XLogP of 4.33, 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]-2-methylpyridine is sourced from PubChem (CID 18183340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).