N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C16H23F3N2O2S — CID 38114118

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-24(22,23)13-7-5-6-11(8-13)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3
InChIKeyKRERZWARMWPJKA-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.29
Rot. Bonds3

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 38114118) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID38114118
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-24(22,23)13-7-5-6-11(8-13)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3
InChIKeyKRERZWARMWPJKA-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 69065013
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 6473379
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501383
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 154821589
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
4-methoxy-3-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1091004
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 122276601
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 38114118) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KRERZWARMWPJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-24(22,23)13-7-5-6-11(8-13)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3.
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 38114118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).