[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol

C20H24FNO3S — CID 45189526

IUPAC[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C20H24FNO3S/c1-16-8-9-18(21)12-19(16)26(24,25)22-11-5-10-20(14-22,15-23)13-17-6-3-2-4-7-17/h2-4,6-9,12,23H,5,10-11,13-15H2,1H3
InChIKeySZIXBHYHSQBULR-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.14
Rot. Bonds5

About [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol

[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 45189526) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID45189526
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C20H24FNO3S/c1-16-8-9-18(21)12-19(16)26(24,25)22-11-5-10-20(14-22,15-23)13-17-6-3-2-4-7-17/h2-4,6-9,12,23H,5,10-11,13-15H2,1H3
InChIKeySZIXBHYHSQBULR-UHFFFAOYSA-N
XLogP3.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol (CID 45189526) is [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol is Cc1ccc(F)cc1S(=O)(=O)N1CCCC(CO)(Cc2ccccc2)C1.
What is the InChIKey of [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is SZIXBHYHSQBULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-16-8-9-18(21)12-19(16)26(24,25)22-11-5-10-20(14-22,15-23)13-17-6-3-2-4-7-17/h2-4,6-9,12,23H,5,10-11,13-15H2,1H3.
What are the key properties of [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol?
[3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 377.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 45189526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).