7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine

C20H14FNO3S2 — CID 141137493

IUPAC7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3
InChIKeyKKHQSZIQWXHCKZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.30
Rot. Bonds4

About 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine

7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine (PubChem CID 141137493) has the molecular formula C20H14FNO3S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
PubChem CID141137493
Molecular FormulaC20H14FNO3S2
Molecular Weight399.47 g/mol
Exact Mass399.04
IUPAC Name7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3
InChIKeyKKHQSZIQWXHCKZ-UHFFFAOYSA-N
XLogP5.30
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine (CID 141137493) is 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine is CS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccccc4F)c3s2)cc1.
What is the InChIKey of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
The InChIKey is KKHQSZIQWXHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S2/c1-27(23,24)14-8-6-13(7-9-14)19-12-16-20(26-19)18(10-11-22-16)25-17-5-3-2-4-15(17)21/h2-12H,1H3.
What are the key properties of 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine?
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine has a molecular weight of 399.47 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 141137493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).