4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

C21H23F3N2O3S — CID 43017867

IUPAC4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14-5-3-7-17(11-14)25-30(28,29)18-9-8-15(2)19(12-18)20(27)26-10-4-6-16(13-26)21(22,23)24/h3,5,7-9,11-12,16,25H,4,6,10,13H2,1-2H3
InChIKeyMTZDZDRIEVEZRC-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.52
Rot. Bonds4

About 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43017867) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43017867
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14-5-3-7-17(11-14)25-30(28,29)18-9-8-15(2)19(12-18)20(27)26-10-4-6-16(13-26)21(22,23)24/h3,5,7-9,11-12,16,25H,4,6,10,13H2,1-2H3
InChIKeyMTZDZDRIEVEZRC-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017866
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 55583889
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 30768460
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
ethyl 1-[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 4096134
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 41399101
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 43017867) is 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC(C(F)(F)F)C3)c2)c1.
What is the InChIKey of 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is MTZDZDRIEVEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-14-5-3-7-17(11-14)25-30(28,29)18-9-8-15(2)19(12-18)20(27)26-10-4-6-16(13-26)21(22,23)24/h3,5,7-9,11-12,16,25H,4,6,10,13H2,1-2H3.
What are the key properties of 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 440.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43017867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).