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

C39H35BrCl4N6O5S4 — CID 159329286

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

4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 159329286) has the molecular formula C39H35BrCl4N6O5S4 and a molecular weight of 1017.73 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
• PubChem CID: 159329286
• Molecular Formula: C39H35BrCl4N6O5S4
• Molecular Weight: 1017.73 g/mol
• Exact Mass: 1013.95
• IUPAC Name: 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
• SMILES: COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)c1.O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1
• InChI: InChI=1S/C20H19Cl2N3O3S2.C19H16BrCl2N3O2S2/c1-28-17-4-2-3-14(9-17)19-13-29-20(23-19)24-5-7-25(8-6-24)30(26,27)18-11-15(21)10-16(22)12-18;20-14-3-1-2-13(8-14)18-12-28-19(23-18)24-4-6-25(7-5-24)29(26,27)17-10-15(21)9-16(22)11-17/h2-4,9-13H,5-8H2,1H3;1-3,8-12H,4-7H2
• InChIKey: LETPVXCLMNKORX-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 116.25 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.73
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole (CID 159329286) is 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole.

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

The canonical SMILES for 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)c1.O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1.

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

The InChIKey is LETPVXCLMNKORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S2.C19H16BrCl2N3O2S2/c1-28-17-4-2-3-14(9-17)19-13-29-20(23-19)24-5-7-25(8-6-24)30(26,27)18-11-15(21)10-16(22)12-18;20-14-3-1-2-13(8-14)18-12-28-19(23-18)24-4-6-25(7-5-24)29(26,27)17-10-15(21)9-16(22)11-17/h2-4,9-13H,5-8H2,1H3;1-3,8-12H,4-7H2.

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

4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 1017.73 g/mol, XLogP of 10.03, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 159329286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).