2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole

C39H36Cl4N6O4S4 — CID 157152926

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 157152926) has the molecular formula C39H36Cl4N6O4S4 and a molecular weight of 922.83 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
• PubChem CID: 157152926
• Molecular Formula: C39H36Cl4N6O4S4
• Molecular Weight: 922.83 g/mol
• Exact Mass: 920.04
• IUPAC Name: 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
• SMILES: Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1.O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2nc(-c3ccccc3)cs2)CC1
• InChI: InChI=1S/C20H19Cl2N3O2S2.C19H17Cl2N3O2S2/c1-14-5-2-3-6-15(14)17-13-28-20(23-17)24-9-11-25(12-10-24)29(26,27)18-8-4-7-16(21)19(18)22;20-15-7-4-8-17(18(15)21)28(25,26)24-11-9-23(10-12-24)19-22-16(13-27-19)14-5-2-1-3-6-14/h2-8,13H,9-12H2,1H3;1-8,13H,9-12H2
• InChIKey: ALLSJEIYDJORAQ-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 107.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.83
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole?

The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole (CID 157152926) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole.

What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole?

The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole is Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1.O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2nc(-c3ccccc3)cs2)CC1.

What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole?

The InChIKey is ALLSJEIYDJORAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S2.C19H17Cl2N3O2S2/c1-14-5-2-3-6-15(14)17-13-28-20(23-17)24-9-11-25(12-10-24)29(26,27)18-8-4-7-16(21)19(18)22;20-15-7-4-8-17(18(15)21)28(25,26)24-11-9-23(10-12-24)19-22-16(13-27-19)14-5-2-1-3-6-14/h2-8,13H,9-12H2,1H3;1-8,13H,9-12H2.

What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole?

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 922.83 g/mol, XLogP of 9.56, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 157152926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).