3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide

C12H16F2N2O2S — CID 124515718

IUPAC3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
SMILESC[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-8-12(3-2-6-15-8)16-19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,2-3,6H2,1H3/t8-,12-/m0/s1
InChIKeyXNKUWXHTCCQXHL-UFBFGSQYSA-N
MW290.34 g/mol
LogP1.38
Rot. Bonds3

About 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide

3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide (PubChem CID 124515718) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
PubChem CID124515718
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
SMILESC[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-8-12(3-2-6-15-8)16-19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,2-3,6H2,1H3/t8-,12-/m0/s1
InChIKeyXNKUWXHTCCQXHL-UFBFGSQYSA-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 ≤ 500290.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide (CID 124515718) is 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide is C[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide?
The InChIKey is XNKUWXHTCCQXHL-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-12(3-2-6-15-8)16-19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,2-3,6H2,1H3/t8-,12-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide?
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide has a molecular weight of 290.34 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 3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 124515718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).