1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol

C12H16FNO3S — CID 43502937

IUPAC1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C12H16FNO3S/c1-9-7-10(13)4-5-12(9)18(16,17)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyGRSGXXHURXYPRG-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol

1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 43502937) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID43502937
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C12H16FNO3S/c1-9-7-10(13)4-5-12(9)18(16,17)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyGRSGXXHURXYPRG-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol (CID 43502937) is 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol is Cc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is GRSGXXHURXYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-7-10(13)4-5-12(9)18(16,17)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol?
1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 273.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).