OK0

C₁₉H₁₉F₃N₆O₂S — CID 118266421

About OK0

OK0 (PubChem CID 118266421) has the molecular formula C₁₉H₁₉F₃N₆O₂S and a molecular weight of 452.46 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: OK0
• PubChem CID: 118266421
• Molecular Formula: C₁₉H₁₉F₃N₆O₂S
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.12
• IUPAC Name: 3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
• SMILES: NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
• InChI: InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)
• InChIKey: IVCVEUVKOPZGEI-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of OK0?

The IUPAC name of OK0 (CID 118266421) is 3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for OK0?

The canonical SMILES for OK0 is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1.

What is the InChIKey of OK0?

The InChIKey is IVCVEUVKOPZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28).

What are the key properties of OK0?

OK0 has a molecular weight of 452.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for OK0 is sourced from PubChem (CID 118266421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118266421 — identifiers, structure, computed properties (public domain)

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