2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol

C₁₅H₁₆N₂O₃S — CID 155953521

About 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol

2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol (PubChem CID 155953521) has the molecular formula C₁₅H₁₆N₂O₃S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol.

Molecular Properties

• Compound Name: 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
• PubChem CID: 155953521
• Molecular Formula: C₁₅H₁₆N₂O₃S
• Molecular Weight: 304.37 g/mol
• Exact Mass: 304.09
• IUPAC Name: 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
• SMILES: O=S(=O)(c1ccccc1O)N1CCC(c2ccncc2)C1
• InChI: InChI=1S/C15H16N2O3S/c18-14-3-1-2-4-15(14)21(19,20)17-10-7-13(11-17)12-5-8-16-9-6-12/h1-6,8-9,13,18H,7,10-11H2
• InChIKey: ZASNOGAOWBWZKI-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.37
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol?

The IUPAC name of 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol (CID 155953521) is 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol.

What is the SMILES notation for 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol?

The canonical SMILES for 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol is O=S(=O)(c1ccccc1O)N1CCC(c2ccncc2)C1.

What is the InChIKey of 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol?

The InChIKey is ZASNOGAOWBWZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14-3-1-2-4-15(14)21(19,20)17-10-7-13(11-17)12-5-8-16-9-6-12/h1-6,8-9,13,18H,7,10-11H2.

What are the key properties of 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol?

2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol has a molecular weight of 304.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol is sourced from PubChem (CID 155953521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155953521 — identifiers, structure, computed properties (public domain)

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