1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol

C12H16FNO5S2 — CID 43454723

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(16,17)10-2-3-11(13)12(8-10)21(18,19)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyPEMLSUSDWGRYCS-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.37
Rot. Bonds3

About 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol

1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol (PubChem CID 43454723) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol
PubChem CID43454723
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(16,17)10-2-3-11(13)12(8-10)21(18,19)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyPEMLSUSDWGRYCS-UHFFFAOYSA-N
XLogP0.37
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol (CID 43454723) is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is PEMLSUSDWGRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-20(16,17)10-2-3-11(13)12(8-10)21(18,19)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol?
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 337.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43454723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).