1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine

C17H24F3NO2S — CID 42999405

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(C)c1C
InChIInChI=1S/C17H24F3NO2S/c1-10-11(2)13(4)16(14(5)12(10)3)24(22,23)21-8-6-7-15(9-21)17(18,19)20/h15H,6-9H2,1-5H3
InChIKeyARGJFVLISOBJDX-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.19
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 42999405) has the molecular formula C17H24F3NO2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID42999405
Molecular FormulaC17H24F3NO2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(C)c1C
InChIInChI=1S/C17H24F3NO2S/c1-10-11(2)13(4)16(14(5)12(10)3)24(22,23)21-8-6-7-15(9-21)17(18,19)20/h15H,6-9H2,1-5H3
InChIKeyARGJFVLISOBJDX-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 42999405) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine is Cc1c(C)c(C)c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is ARGJFVLISOBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2S/c1-10-11(2)13(4)16(14(5)12(10)3)24(22,23)21-8-6-7-15(9-21)17(18,19)20/h15H,6-9H2,1-5H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 363.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 42999405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).