1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide

C21H24Cl3F3N2OS — CID 143508533

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide
SMILESCCNS(=O)CC(F)(F)F.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C4H8F3NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-8-10(9)3-4(5,6)7/h4-9,11,17H,1-3,10H2;8H,2-3H2,1H3
InChIKeyYOINXRAOQIJDHW-UHFFFAOYSA-N
MW515.86 g/mol
LogP7.20
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide (PubChem CID 143508533) has the molecular formula C21H24Cl3F3N2OS and a molecular weight of 515.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide
PubChem CID143508533
Molecular FormulaC21H24Cl3F3N2OS
Molecular Weight515.86 g/mol
Exact Mass514.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide
SMILESCCNS(=O)CC(F)(F)F.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C4H8F3NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-8-10(9)3-4(5,6)7/h4-9,11,17H,1-3,10H2;8H,2-3H2,1H3
InChIKeyYOINXRAOQIJDHW-UHFFFAOYSA-N
XLogP7.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.86
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide (CID 143508533) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide is CCNS(=O)CC(F)(F)F.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide?
The InChIKey is YOINXRAOQIJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N.C4H8F3NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-8-10(9)3-4(5,6)7/h4-9,11,17H,1-3,10H2;8H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide has a molecular weight of 515.86 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethyl-2,2,2-trifluoroethanesulfinamide is sourced from PubChem (CID 143508533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).