1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine

C24H22Cl4N2S — CID 11834884

IUPAC1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine
SMILESCC(c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H22Cl4N2S/c1-16(29-9-11-30(12-10-29)19-4-2-3-17(25)13-19)21-14-18(26)5-8-24(21)31-20-6-7-22(27)23(28)15-20/h2-8,13-16H,9-12H2,1H3
InChIKeyZHBZMXGYDSCGCY-UHFFFAOYSA-N
MW512.33 g/mol
LogP8.33
Rot. Bonds5

About 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine

1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine (PubChem CID 11834884) has the molecular formula C24H22Cl4N2S and a molecular weight of 512.33 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine
PubChem CID11834884
Molecular FormulaC24H22Cl4N2S
Molecular Weight512.33 g/mol
Exact Mass510.03
IUPAC Name1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine
SMILESCC(c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H22Cl4N2S/c1-16(29-9-11-30(12-10-29)19-4-2-3-17(25)13-19)21-14-18(26)5-8-24(21)31-20-6-7-22(27)23(28)15-20/h2-8,13-16H,9-12H2,1H3
InChIKeyZHBZMXGYDSCGCY-UHFFFAOYSA-N
XLogP8.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.33
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine 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

1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
CID 138111695
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
1-(3-chlorophenyl)-4-(1-nitropropan-2-yl)piperazine
CID 134119458
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
6-chloro-3-[4-(3-chlorophenyl)piperazin-1-yl]thiochromen-4-one
CID 7162581
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 18099155
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161262

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine (CID 11834884) is 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine is CC(c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is ZHBZMXGYDSCGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl4N2S/c1-16(29-9-11-30(12-10-29)19-4-2-3-17(25)13-19)21-14-18(26)5-8-24(21)31-20-6-7-22(27)23(28)15-20/h2-8,13-16H,9-12H2,1H3.
What are the key properties of 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine?
1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 512.33 g/mol, XLogP of 8.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 11834884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).