3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide

C13H19FN2O2S — CID 55056998

IUPAC3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cccc(F)c2)N1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-2-6-12(16-10)9-15-19(17,18)13-7-3-5-11(14)8-13/h3,5,7-8,10,12,15-16H,2,4,6,9H2,1H3
InChIKeyJUVHTWJMMRBFSM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.63
Rot. Bonds4

About 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide

3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide (PubChem CID 55056998) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
PubChem CID55056998
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cccc(F)c2)N1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-2-6-12(16-10)9-15-19(17,18)13-7-3-5-11(14)8-13/h3,5,7-8,10,12,15-16H,2,4,6,9H2,1H3
InChIKeyJUVHTWJMMRBFSM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 62322482
3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 63305065
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
1-cyclopropyl-N-[(6-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 64987711
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide (CID 55056998) is 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide is CC1CCCC(CNS(=O)(=O)c2cccc(F)c2)N1.
What is the InChIKey of 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is JUVHTWJMMRBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-4-2-6-12(16-10)9-15-19(17,18)13-7-3-5-11(14)8-13/h3,5,7-8,10,12,15-16H,2,4,6,9H2,1H3.
What are the key properties of 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55056998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).