N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C14H19F3N2O2S — CID 4986715

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O2S/c1-18-8-6-12(7-9-18)19(2)22(20,21)13-5-3-4-11(10-13)14(15,16)17/h3-5,10,12H,6-9H2,1-2H3
InChIKeyHYLWMZAAEKOOFD-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4986715) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4986715
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O2S/c1-18-8-6-12(7-9-18)19(2)22(20,21)13-5-3-4-11(10-13)14(15,16)17/h3-5,10,12H,6-9H2,1-2H3
InChIKeyHYLWMZAAEKOOFD-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 3309976
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
N-methyl-N-[1-[(2R)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11669562
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
N-[(9R,13S)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 140641115
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 4986715) is N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HYLWMZAAEKOOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-18-8-6-12(7-9-18)19(2)22(20,21)13-5-3-4-11(10-13)14(15,16)17/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).