2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C12H16F2N2O2S — CID 114695279

IUPAC2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2S/c1-8-11(6-3-7-15-8)16-19(17,18)12-9(13)4-2-5-10(12)14/h2,4-5,8,11,15-16H,3,6-7H2,1H3
InChIKeyGJERQHODWHYRLX-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.38
Rot. Bonds3

About 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide

2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 114695279) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID114695279
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2S/c1-8-11(6-3-7-15-8)16-19(17,18)12-9(13)4-2-5-10(12)14/h2,4-5,8,11,15-16H,3,6-7H2,1H3
InChIKeyGJERQHODWHYRLX-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3-fluoro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726621
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
2-bromo-6-chloro-4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726722
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 114695279) is 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide is CC1NCCCC1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is GJERQHODWHYRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-11(6-3-7-15-8)16-19(17,18)12-9(13)4-2-5-10(12)14/h2,4-5,8,11,15-16H,3,6-7H2,1H3.
What are the key properties of 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114695279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).