6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide

C56H71Cl4N15O6S2 — CID 157299475

About 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide

6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide (PubChem CID 157299475) has the molecular formula C56H71Cl4N15O6S2 and a molecular weight of 1256.23 g/mol. Its IUPAC name is 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
• PubChem CID: 157299475
• Molecular Formula: C56H71Cl4N15O6S2
• Molecular Weight: 1256.23 g/mol
• Exact Mass: 1253.39
• IUPAC Name: 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
• SMILES: CCC1CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(C)C(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.NS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C15H19ClN4O.C15H20ClN3O2S.C14H17ClN4O.C12H15ClN4O2S/c1-18(2)15(21)20-7-5-19(6-8-20)14-10-11(16)9-13-12(14)3-4-17-13;1-3-12-10-18(6-7-19(12)22(2,20)21)15-9-11(16)8-14-13(15)4-5-17-14;1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12;13-9-7-11-10(1-2-15-11)12(8-9)16-3-5-17(6-4-16)20(14,18)19/h3-4,9-10,17H,5-8H2,1-2H3;4-5,8-9,12,17H,3,6-7,10H2,1-2H3;2-3,8-9,17H,4-7H2,1H3,(H,16,20);1-2,7-8,15H,3-6H2,(H2,14,18,19)
• InChIKey: BBSPLTRLLVGOCF-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 232.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.23
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide?

The IUPAC name of 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide (CID 157299475) is 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide.

What is the SMILES notation for 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide?

The canonical SMILES for 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide is CCC1CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(C)C(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.NS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide?

The InChIKey is BBSPLTRLLVGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.C15H20ClN3O2S.C14H17ClN4O.C12H15ClN4O2S/c1-18(2)15(21)20-7-5-19(6-8-20)14-10-11(16)9-13-12(14)3-4-17-13;1-3-12-10-18(6-7-19(12)22(2,20)21)15-9-11(16)8-14-13(15)4-5-17-14;1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12;13-9-7-11-10(1-2-15-11)12(8-9)16-3-5-17(6-4-16)20(14,18)19/h3-4,9-10,17H,5-8H2,1-2H3;4-5,8-9,12,17H,3,6-7,10H2,1-2H3;2-3,8-9,17H,4-7H2,1H3,(H,16,20);1-2,7-8,15H,3-6H2,(H2,14,18,19).

What are the key properties of 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide?

6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide has a molecular weight of 1256.23 g/mol, XLogP of 8.74, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 157299475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).