3-piperidin-4-ylsulfonylphenol

C11H15NO3S — CID 84702713

IUPAC3-piperidin-4-ylsulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C11H15NO3S/c13-9-2-1-3-11(8-9)16(14,15)10-4-6-12-7-5-10/h1-3,8,10,12-13H,4-7H2
InChIKeyKOVISCPHGMIZHL-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.92
Rot. Bonds2

About 3-piperidin-4-ylsulfonylphenol

3-piperidin-4-ylsulfonylphenol (PubChem CID 84702713) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-piperidin-4-ylsulfonylphenol.

Molecular Properties

Compound Name3-piperidin-4-ylsulfonylphenol
PubChem CID84702713
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-piperidin-4-ylsulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C11H15NO3S/c13-9-2-1-3-11(8-9)16(14,15)10-4-6-12-7-5-10/h1-3,8,10,12-13H,4-7H2
InChIKeyKOVISCPHGMIZHL-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperidin-4-ylsulfonylaniline
CID 139989076
3-(pyrrolidin-3-ylmethylsulfonyl)phenol
CID 84702715
CID 89024956
CID 89024956
4-piperidin-4-ylsulfonylaniline
CID 67192184
4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
CID 82305550
4-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 71645560
3-[2-[4-methyl-2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 69442412
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
3-(piperidin-4-ylmethylsulfinyl)phenol
CID 84701440
3-(azepan-4-ylmethyl)phenol
CID 83261812
4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
CID 18538635
4-(4-phenylmethoxyphenyl)sulfonylpiperidine
CID 59862358

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylsulfonylphenol?
The IUPAC name of 3-piperidin-4-ylsulfonylphenol (CID 84702713) is 3-piperidin-4-ylsulfonylphenol.
What is the SMILES notation for 3-piperidin-4-ylsulfonylphenol?
The canonical SMILES for 3-piperidin-4-ylsulfonylphenol is O=S(=O)(c1cccc(O)c1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylsulfonylphenol?
The InChIKey is KOVISCPHGMIZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-9-2-1-3-11(8-9)16(14,15)10-4-6-12-7-5-10/h1-3,8,10,12-13H,4-7H2.
What are the key properties of 3-piperidin-4-ylsulfonylphenol?
3-piperidin-4-ylsulfonylphenol has a molecular weight of 241.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylsulfonylphenol is sourced from PubChem (CID 84702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).