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

C40H36Cl6N6O4S4 — CID 158267461

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

4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole (PubChem CID 158267461) has the molecular formula C40H36Cl6N6O4S4 and a molecular weight of 1005.75 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole
• PubChem CID: 158267461
• Molecular Formula: C40H36Cl6N6O4S4
• Molecular Weight: 1005.75 g/mol
• Exact Mass: 1001.98
• IUPAC Name: 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole
• SMILES: Cc1cc(C)cc(-c2csc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)c1.O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)cs2)CC1
• InChI: InChI=1S/C21H21Cl2N3O2S2.C19H15Cl4N3O2S2/c1-14-7-15(2)9-16(8-14)20-13-29-21(24-20)25-3-5-26(6-4-25)30(27,28)19-11-17(22)10-18(23)12-19;20-13-5-12(6-14(21)7-13)18-11-29-19(24-18)25-1-3-26(4-2-25)30(27,28)17-9-15(22)8-16(23)10-17/h7-13H,3-6H2,1-2H3;5-11H,1-4H2
• InChIKey: GIPWXAOEJOFTAG-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 107.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.75
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole (CID 158267461) is 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole.

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

The canonical SMILES for 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole is Cc1cc(C)cc(-c2csc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)c1.O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)cs2)CC1.

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

The InChIKey is GIPWXAOEJOFTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S2.C19H15Cl4N3O2S2/c1-14-7-15(2)9-16(8-14)20-13-29-21(24-20)25-3-5-26(6-4-25)30(27,28)19-11-17(22)10-18(23)12-19;20-13-5-12(6-14(21)7-13)18-11-29-19(24-18)25-1-3-26(4-2-25)30(27,28)17-9-15(22)8-16(23)10-17/h7-13H,3-6H2,1-2H3;5-11H,1-4H2.

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

4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole has a molecular weight of 1005.75 g/mol, XLogP of 11.18, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 158267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).