2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole

C44H46Cl4N6O7S4 — CID 157328422

About 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole

2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 157328422) has the molecular formula C44H46Cl4N6O7S4 and a molecular weight of 1040.97 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
• PubChem CID: 157328422
• Molecular Formula: C44H46Cl4N6O7S4
• Molecular Weight: 1040.97 g/mol
• Exact Mass: 1038.11
• IUPAC Name: 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
• SMILES: COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(C)c1
• InChI: InChI=1S/C22H23Cl2N3O5S2.C22H23Cl2N3O2S2/c1-30-18-10-14(11-19(31-2)21(18)32-3)17-13-33-22(25-17)26-6-8-27(9-7-26)34(28,29)20-5-4-15(23)12-16(20)24;1-14-10-15(2)21(16(3)11-14)19-13-30-22(25-19)26-6-8-27(9-7-26)31(28,29)20-5-4-17(23)12-18(20)24/h4-5,10-13H,6-9H2,1-3H3;4-5,10-13H,6-9H2,1-3H3
• InChIKey: BEZOUYUSYFGPPZ-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 134.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1040.97
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?

The IUPAC name of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole (CID 157328422) is 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole.

What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?

The canonical SMILES for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole is COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(C)c1.

What is the InChIKey of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?

The InChIKey is BEZOUYUSYFGPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O5S2.C22H23Cl2N3O2S2/c1-30-18-10-14(11-19(31-2)21(18)32-3)17-13-33-22(25-17)26-6-8-27(9-7-26)34(28,29)20-5-4-15(23)12-16(20)24;1-14-10-15(2)21(16(3)11-14)19-13-30-22(25-19)26-6-8-27(9-7-26)31(28,29)20-5-4-17(23)12-18(20)24/h4-5,10-13H,6-9H2,1-3H3;4-5,10-13H,6-9H2,1-3H3.

What are the key properties of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?

2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 1040.97 g/mol, XLogP of 10.21, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 157328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).