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

C15H16N2O3S — CID 155953521

IUPAC2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCC(c2ccncc2)C1
InChIInChI=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
InChIKeyZASNOGAOWBWZKI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.97
Rot. Bonds3

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 Name2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
PubChem CID155953521
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCC(c2ccncc2)C1
InChIInChI=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
InChIKeyZASNOGAOWBWZKI-UHFFFAOYSA-N
XLogP1.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine
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2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
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1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
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3-pyridin-4-ylpyrrolidine-1-carbaldehyde
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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).