4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C13H17FN2O3S — CID 5009999

IUPAC4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-6-12(7-9-16)15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyUOLLYFFPMWVIBR-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.98
Rot. Bonds3

About 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 5009999) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID5009999
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-6-12(7-9-16)15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyUOLLYFFPMWVIBR-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide 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 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 5009999) is 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is UOLLYFFPMWVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16-8-6-12(7-9-16)15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 300.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 5009999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).