4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate

C45H57Cl3N8O7S2 — CID 158386624

About 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate

4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate (PubChem CID 158386624) has the molecular formula C45H57Cl3N8O7S2 and a molecular weight of 992.49 g/mol. Its IUPAC name is 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate
• PubChem CID: 158386624
• Molecular Formula: C45H57Cl3N8O7S2
• Molecular Weight: 992.49 g/mol
• Exact Mass: 990.29
• IUPAC Name: 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate
• SMILES: CC1(C)CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(N)(=O)=O.COC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.COCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C16H21ClN2O3S.C15H17ClN2O2.C14H19ClN4O2S/c1-22-8-9-23(20,21)19-6-3-12(4-7-19)15-10-13(17)11-16-14(15)2-5-18-16;1-20-15(19)10-3-6-18(7-4-10)14-9-11(16)8-13-12(14)2-5-17-13;1-14(2)9-18(5-6-19(14)22(16,20)21)13-8-10(15)7-12-11(13)3-4-17-12/h2,5,10-12,18H,3-4,6-9H2,1H3;2,5,8-10,17H,3-4,6-7H2,1H3;3-4,7-8,17H,5-6,9H2,1-2H3,(H2,16,20,21)
• InChIKey: GWLGHNLVANEDTK-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 190.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.49
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate?

The IUPAC name of 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate (CID 158386624) is 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate.

What is the SMILES notation for 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate?

The canonical SMILES for 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate is CC1(C)CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(N)(=O)=O.COC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.COCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate?

The InChIKey is GWLGHNLVANEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S.C15H17ClN2O2.C14H19ClN4O2S/c1-22-8-9-23(20,21)19-6-3-12(4-7-19)15-10-13(17)11-16-14(15)2-5-18-16;1-20-15(19)10-3-6-18(7-4-10)14-9-11(16)8-13-12(14)2-5-17-13;1-14(2)9-18(5-6-19(14)22(16,20)21)13-8-10(15)7-12-11(13)3-4-17-12/h2,5,10-12,18H,3-4,6-9H2,1H3;2,5,8-10,17H,3-4,6-7H2,1H3;3-4,7-8,17H,5-6,9H2,1-2H3,(H2,16,20,21).

What are the key properties of 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate?

4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate has a molecular weight of 992.49 g/mol, XLogP of 8.11, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-1H-indol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;methyl 1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 158386624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).