3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide

C13H19FN2O2S — CID 63305065

IUPAC3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCC1CCCNC1CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-3-7-15-13(10)9-16-19(17,18)12-6-2-5-11(14)8-12/h2,5-6,8,10,13,15-16H,3-4,7,9H2,1H3
InChIKeyBQTLJDDWTGEINU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide

3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide (PubChem CID 63305065) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
PubChem CID63305065
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCC1CCCNC1CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-3-7-15-13(10)9-16-19(17,18)12-6-2-5-11(14)8-12/h2,5-6,8,10,13,15-16H,3-4,7,9H2,1H3
InChIKeyBQTLJDDWTGEINU-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 55056998
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-[(3-ethylpiperidin-2-yl)methyl]benzenesulfonamide
CID 82734868
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
1-(3-methylpiperidin-2-yl)-N-(methylsulfamoyl)methanamine
CID 114807536
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide (CID 63305065) is 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide is CC1CCCNC1CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BQTLJDDWTGEINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-4-3-7-15-13(10)9-16-19(17,18)12-6-2-5-11(14)8-12/h2,5-6,8,10,13,15-16H,3-4,7,9H2,1H3.
What are the key properties of 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63305065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).