4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C13H16F4N2O2S — CID 120726654

IUPAC4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O2S/c1-8-12(3-2-6-18-8)19-22(20,21)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,12,18-19H,2-3,6H2,1H3
InChIKeyZLAYVDJXLZBRHF-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.26
Rot. Bonds3

About 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 120726654) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID120726654
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O2S/c1-8-12(3-2-6-18-8)19-22(20,21)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,12,18-19H,2-3,6H2,1H3
InChIKeyZLAYVDJXLZBRHF-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
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-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 120726654) is 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is CC1NCCCC1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZLAYVDJXLZBRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c1-8-12(3-2-6-18-8)19-22(20,21)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,12,18-19H,2-3,6H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120726654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).