2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine

C17H14FNO2S2 — CID 18183359

IUPAC2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2cscc2-c2ccc(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14FNO2S2/c1-11-4-3-5-16(19-11)14-10-22-9-13(14)12-6-7-17(15(18)8-12)23(2,20)21/h3-10H,1-2H3
InChIKeyMROVLWDBCABFFE-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine

2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine (PubChem CID 18183359) has the molecular formula C17H14FNO2S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
PubChem CID18183359
Molecular FormulaC17H14FNO2S2
Molecular Weight347.44 g/mol
Exact Mass347.04
IUPAC Name2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2cscc2-c2ccc(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14FNO2S2/c1-11-4-3-5-16(19-11)14-10-22-9-13(14)12-6-7-17(15(18)8-12)23(2,20)21/h3-10H,1-2H3
InChIKeyMROVLWDBCABFFE-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 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine (CID 18183359) is 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine is Cc1cccc(-c2cscc2-c2ccc(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The InChIKey is MROVLWDBCABFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S2/c1-11-4-3-5-16(19-11)14-10-22-9-13(14)12-6-7-17(15(18)8-12)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-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 2-[4-(3-fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine is sourced from PubChem (CID 18183359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).