N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H16F3N3O2S — CID 120722916

IUPACN-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2S/c1-8-4-5-16-7-10(8)18-21(19,20)9-2-3-11(17-6-9)12(13,14)15/h2-3,6,8,10,16,18H,4-5,7H2,1H3
InChIKeyQZGBGUOVWHDBHG-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.38
Rot. Bonds3

About N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 120722916) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID120722916
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2S/c1-8-4-5-16-7-10(8)18-21(19,20)9-2-3-11(17-6-9)12(13,14)15/h2-3,6,8,10,16,18H,4-5,7H2,1H3
InChIKeyQZGBGUOVWHDBHG-UHFFFAOYSA-N
XLogP1.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120722687
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120723086
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 120722916) is N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CC1CCNCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is QZGBGUOVWHDBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-8-4-5-16-7-10(8)18-21(19,20)9-2-3-11(17-6-9)12(13,14)15/h2-3,6,8,10,16,18H,4-5,7H2,1H3.
What are the key properties of N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 323.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 120722916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).