4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol

C12H17NO4S — CID 112626701

IUPAC4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO4S/c1-9(14)10-6-7-13(8-10)18(16,17)12-4-2-11(15)3-5-12/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyZGAZSDLJWWEPDI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.78
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol (PubChem CID 112626701) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
PubChem CID112626701
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO4S/c1-9(14)10-6-7-13(8-10)18(16,17)12-4-2-11(15)3-5-12/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyZGAZSDLJWWEPDI-UHFFFAOYSA-N
XLogP0.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627588
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 103834553
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964796

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol (CID 112626701) is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol is CC(O)C1CCN(S(=O)(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol?
The InChIKey is ZGAZSDLJWWEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9(14)10-6-7-13(8-10)18(16,17)12-4-2-11(15)3-5-12/h2-5,9-10,14-15H,6-8H2,1H3.
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol?
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol has a molecular weight of 271.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol is sourced from PubChem (CID 112626701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).