3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione

C26H18ClFN2O2S2 — CID 118384788

About 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione

3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 118384788) has the molecular formula C26H18ClFN2O2S2 and a molecular weight of 509.03 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
• PubChem CID: 118384788
• Molecular Formula: C26H18ClFN2O2S2
• Molecular Weight: 509.03 g/mol
• Exact Mass: 508.05
• IUPAC Name: 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione
• SMILES: O=C1CC(c2ccsc2)(c2cccc(-c3ccc(F)cc3)n2)NC(=O)C1Sc1ccccc1Cl
• InChI: InChI=1S/C26H18ClFN2O2S2/c27-19-4-1-2-6-22(19)34-24-21(31)14-26(30-25(24)32,17-12-13-33-15-17)23-7-3-5-20(29-23)16-8-10-18(28)11-9-16/h1-13,15,24H,14H2,(H,30,32)
• InChIKey: JOSOIZKHFTWGPY-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.03
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?

The IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione (CID 118384788) is 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione.

What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?

The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(c2ccsc2)(c2cccc(-c3ccc(F)cc3)n2)NC(=O)C1Sc1ccccc1Cl.

What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?

The InChIKey is JOSOIZKHFTWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN2O2S2/c27-19-4-1-2-6-22(19)34-24-21(31)14-26(30-25(24)32,17-12-13-33-15-17)23-7-3-5-20(29-23)16-8-10-18(28)11-9-16/h1-13,15,24H,14H2,(H,30,32).

What are the key properties of 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione?

3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 509.03 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)sulfanyl-6-[6-(4-fluorophenyl)-2-pyridinyl]-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 118384788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).