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

C20H13ClFNO2S2 — CID 24899319

IUPAC3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H13ClFNO2S2/c1-12-4-9-15(11-17(12)22)27(24,25)20-18(13-5-7-14(21)8-6-13)16-3-2-10-23-19(16)26-20/h2-11H,1H3
InChIKeyREINZTMELYMEKY-UHFFFAOYSA-N
MW417.91 g/mol
LogP5.90
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 24899319) has the molecular formula C20H13ClFNO2S2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID24899319
Molecular FormulaC20H13ClFNO2S2
Molecular Weight417.91 g/mol
Exact Mass417.01
IUPAC Name3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H13ClFNO2S2/c1-12-4-9-15(11-17(12)22)27(24,25)20-18(13-5-7-14(21)8-6-13)16-3-2-10-23-19(16)26-20/h2-11H,1H3
InChIKeyREINZTMELYMEKY-UHFFFAOYSA-N
XLogP5.90
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.91
LogP ≤ 55.90
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-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine (CID 24899319) is 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine is Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is REINZTMELYMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO2S2/c1-12-4-9-15(11-17(12)22)27(24,25)20-18(13-5-7-14(21)8-6-13)16-3-2-10-23-19(16)26-20/h2-11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 417.91 g/mol, XLogP of 5.90, 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-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 24899319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).