1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine

C16H19ClF3N3O2S — CID 167851218

IUPAC1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
SMILESO=S(=O)(CCc1cccc(Cl)c1)N1CCCC(CC2(C(F)(F)F)N=N2)C1
InChIInChI=1S/C16H19ClF3N3O2S/c17-14-5-1-3-12(9-14)6-8-26(24,25)23-7-2-4-13(11-23)10-15(21-22-15)16(18,19)20/h1,3,5,9,13H,2,4,6-8,10-11H2
InChIKeyXESORIAYSUKOGF-UHFFFAOYSA-N
MW409.86 g/mol
LogP4.04
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine

1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine (PubChem CID 167851218) has the molecular formula C16H19ClF3N3O2S and a molecular weight of 409.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
PubChem CID167851218
Molecular FormulaC16H19ClF3N3O2S
Molecular Weight409.86 g/mol
Exact Mass409.08
IUPAC Name1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
SMILESO=S(=O)(CCc1cccc(Cl)c1)N1CCCC(CC2(C(F)(F)F)N=N2)C1
InChIInChI=1S/C16H19ClF3N3O2S/c17-14-5-1-3-12(9-14)6-8-26(24,25)23-7-2-4-13(11-23)10-15(21-22-15)16(18,19)20/h1,3,5,9,13H,2,4,6-8,10-11H2
InChIKeyXESORIAYSUKOGF-UHFFFAOYSA-N
XLogP4.04
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine 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

4-Benzyl-1-(3-chlorobenzylsulfonyl)piperidine
CID 71699216
1-({1-[(3-Chlorophenyl)methanesulfonyl]piperidin-4-YL}methyl)azepane
CID 50848128
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 50848375
1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-4-methylpiperidine
CID 17741390
4-(4-Chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine
CID 154022400
(Z)-4-(3-chloro-4-fluorophenyl)-2-methyl-4-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]but-3-ene-2-sulfinamide
CID 166045496
1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-3-methylpiperidine
CID 17616330
(3R)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3-methylpiperidine
CID 41543127
(3S)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-3-methylpiperidine
CID 41543128
1-((3-Chlorobenzyl)sulfonyl)-2-(trifluoromethyl)piperidine
CID 92092683
1-[2-(3-Chlorophenyl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 110602138
1-[(3-Chloro-4-fluorophenyl)methylsulfonyl]piperidin-4-amine
CID 120874315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The IUPAC name of 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine (CID 167851218) is 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine is O=S(=O)(CCc1cccc(Cl)c1)N1CCCC(CC2(C(F)(F)F)N=N2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The InChIKey is XESORIAYSUKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2S/c17-14-5-1-3-12(9-14)6-8-26(24,25)23-7-2-4-13(11-23)10-15(21-22-15)16(18,19)20/h1,3,5,9,13H,2,4,6-8,10-11H2.
What are the key properties of 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine has a molecular weight of 409.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine is sourced from PubChem (CID 167851218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).