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

C22H27Cl3N2OS — CID 143508583

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide
SMILESCCNS(=O)C1CC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C5H11NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-6-8(7)5-3-4-5/h4-9,11,17H,1-3,10H2;5-6H,2-4H2,1H3
InChIKeyNKAWYOAAPPFRIF-UHFFFAOYSA-N
MW473.90 g/mol
LogP6.80
Rot. Bonds5

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide (PubChem CID 143508583) has the molecular formula C22H27Cl3N2OS and a molecular weight of 473.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide
PubChem CID143508583
Molecular FormulaC22H27Cl3N2OS
Molecular Weight473.90 g/mol
Exact Mass472.09
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide
SMILESCCNS(=O)C1CC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C5H11NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-6-8(7)5-3-4-5/h4-9,11,17H,1-3,10H2;5-6H,2-4H2,1H3
InChIKeyNKAWYOAAPPFRIF-UHFFFAOYSA-N
XLogP6.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.90
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide (CID 143508583) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide is CCNS(=O)C1CC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide?
The InChIKey is NKAWYOAAPPFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N.C5H11NOS/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-2-6-8(7)5-3-4-5/h4-9,11,17H,1-3,10H2;5-6H,2-4H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide has a molecular weight of 473.90 g/mol, XLogP of 6.80, 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-ethylcyclopropanesulfinamide is sourced from PubChem (CID 143508583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).