3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine

C19H11ClFNO2S2 — CID 24898607

IUPAC3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClFNO2S2/c20-13-5-3-12(4-6-13)17-16-2-1-11-22-18(16)25-19(17)26(23,24)15-9-7-14(21)8-10-15/h1-11H
InChIKeyOSHVYEGFIGWBSL-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.59
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 24898607) has the molecular formula C19H11ClFNO2S2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID24898607
Molecular FormulaC19H11ClFNO2S2
Molecular Weight403.89 g/mol
Exact Mass402.99
IUPAC Name3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClFNO2S2/c20-13-5-3-12(4-6-13)17-16-2-1-11-22-18(16)25-19(17)26(23,24)15-9-7-14(21)8-10-15/h1-11H
InChIKeyOSHVYEGFIGWBSL-UHFFFAOYSA-N
XLogP5.59
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine (CID 24898607) is 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine is O=S(=O)(c1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is OSHVYEGFIGWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNO2S2/c20-13-5-3-12(4-6-13)17-16-2-1-11-22-18(16)25-19(17)26(23,24)15-9-7-14(21)8-10-15/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 403.89 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 24898607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).