2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole

C60H79Cl4N13O8S3 — CID 159347192

About 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole

2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole (PubChem CID 159347192) has the molecular formula C60H79Cl4N13O8S3 and a molecular weight of 1348.39 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole.

Molecular Properties

• Compound Name: 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole
• PubChem CID: 159347192
• Molecular Formula: C60H79Cl4N13O8S3
• Molecular Weight: 1348.39 g/mol
• Exact Mass: 1345.41
• IUPAC Name: 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole
• SMILES: CC(C)S(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.COCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C15H19ClN4O.C15H20ClN3O3S.2C15H20ClN3O2S/c1-17-15(21)10-19-4-6-20(7-5-19)14-9-11(16)8-13-12(14)2-3-18-13;1-22-8-9-23(20,21)19-6-4-18(5-7-19)15-11-12(16)10-14-13(15)2-3-17-14;1-11(2)22(20,21)19-7-5-18(6-8-19)15-10-12(16)9-14-13(15)3-4-17-14;1-2-9-22(20,21)19-7-5-18(6-8-19)15-11-12(16)10-14-13(15)3-4-17-14/h2-3,8-9,18H,4-7,10H2,1H3,(H,17,21);2-3,10-11,17H,4-9H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-4,10-11,17H,2,5-9H2,1H3
• InChIKey: LGWIGWSAOKRHOK-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 229.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.39
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole?

The IUPAC name of 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole (CID 159347192) is 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole.

What is the SMILES notation for 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole?

The canonical SMILES for 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole is CC(C)S(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.COCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole?

The InChIKey is LGWIGWSAOKRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.C15H20ClN3O3S.2C15H20ClN3O2S/c1-17-15(21)10-19-4-6-20(7-5-19)14-9-11(16)8-13-12(14)2-3-18-13;1-22-8-9-23(20,21)19-6-4-18(5-7-19)15-11-12(16)10-14-13(15)2-3-17-14;1-11(2)22(20,21)19-7-5-18(6-8-19)15-10-12(16)9-14-13(15)3-4-17-14;1-2-9-22(20,21)19-7-5-18(6-8-19)15-11-12(16)10-14-13(15)3-4-17-14/h2-3,8-9,18H,4-7,10H2,1H3,(H,17,21);2-3,10-11,17H,4-9H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-4,10-11,17H,2,5-9H2,1H3.

What are the key properties of 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole?

2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole has a molecular weight of 1348.39 g/mol, XLogP of 8.97, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-N-methylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indole;6-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 159347192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).