2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

C23H26F3NO5S2 — CID 59447263

IUPAC2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3NO5S2/c1-22(2,34(31,32)20-10-6-7-18(15-20)23(24,25)26)17-11-13-27(14-12-17)21(28)16-33(29,30)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyISBIJRSMSVJZQN-UHFFFAOYSA-N
MW517.59 g/mol
LogP3.97
Rot. Bonds6

About 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 59447263) has the molecular formula C23H26F3NO5S2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
PubChem CID59447263
Molecular FormulaC23H26F3NO5S2
Molecular Weight517.59 g/mol
Exact Mass517.12
IUPAC Name2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3NO5S2/c1-22(2,34(31,32)20-10-6-7-18(15-20)23(24,25)26)17-11-13-27(14-12-17)21(28)16-33(29,30)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyISBIJRSMSVJZQN-UHFFFAOYSA-N
XLogP3.97
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(4-fluoro-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)(3-((4-fluorophenyl)sulfonyl)-3-(4-(perfluoropropan-2-yl)phenyl)pyrrolidin-1-yl)methanone
CID 118208184
(1,1-dioxothian-4-yl)-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118217911
[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]-(4-methyl-1,1-dioxothian-4-yl)methanone
CID 118217920
(4-ethyl-1,1-dioxothian-4-yl)-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118217922
[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 118217927
3-Benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan-4-one
CID 44224202
(1,1-dioxothian-4-yl)-[(3R)-3-(4-fluoro-3-methylphenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118217847
(1,1-dioxothian-4-yl)-[(3R)-3-[3-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 118217965
(1,1-Dioxo-1,4-thiazinan-4-yl)-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]methanone
CID 123840483
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 2591961
1-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)sulfanylethanone
CID 7661858
Tert-butyl 4-{[3-fluoro-5-(trifluoromethyl)benzenesulfonyl]methyl}piperidine-1-carboxylate
CID 51051547

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (CID 59447263) is 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is CC(C)(C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ISBIJRSMSVJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO5S2/c1-22(2,34(31,32)20-10-6-7-18(15-20)23(24,25)26)17-11-13-27(14-12-17)21(28)16-33(29,30)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 517.59 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).