4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole

C52H74N18O9S4 — CID 159242345

About 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole

4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 159242345) has the molecular formula C52H74N18O9S4 and a molecular weight of 1223.55 g/mol. Its IUPAC name is 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

• Compound Name: 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole
• PubChem CID: 159242345
• Molecular Formula: C52H74N18O9S4
• Molecular Weight: 1223.55 g/mol
• Exact Mass: 1222.48
• IUPAC Name: 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole
• SMILES: CC(C)S(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CN(C)S(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.COCCS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.NS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1
• InChI: InChI=1S/C14H20N4O3S.C14H20N4O2S.C13H19N5O2S.C11H15N5O2S/c1-21-9-10-22(19,20)18-7-5-17(6-8-18)14-4-2-3-13-12(14)11-15-16-13;1-11(2)21(19,20)18-8-6-17(7-9-18)14-5-3-4-13-12(14)10-15-16-13;1-16(2)21(19,20)18-8-6-17(7-9-18)13-5-3-4-12-11(13)10-14-15-12;12-19(17,18)16-6-4-15(5-7-16)11-3-1-2-10-9(11)8-13-14-10/h2-4,11H,5-10H2,1H3,(H,15,16);3-5,10-11H,6-9H2,1-2H3,(H,15,16);3-5,10H,6-9H2,1-2H3,(H,14,15);1-3,8H,4-7H2,(H,13,14)(H2,12,17,18)
• InChIKey: KUGGBWDESQWAQK-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 315.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.55
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole?

The IUPAC name of 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole (CID 159242345) is 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole.

What is the SMILES notation for 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole?

The canonical SMILES for 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole is CC(C)S(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CN(C)S(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.COCCS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.NS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.

What is the InChIKey of 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole?

The InChIKey is KUGGBWDESQWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.C14H20N4O2S.C13H19N5O2S.C11H15N5O2S/c1-21-9-10-22(19,20)18-7-5-17(6-8-18)14-4-2-3-13-12(14)11-15-16-13;1-11(2)21(19,20)18-8-6-17(7-9-18)14-5-3-4-13-12(14)10-15-16-13;1-16(2)21(19,20)18-8-6-17(7-9-18)13-5-3-4-12-11(13)10-14-15-12;12-19(17,18)16-6-4-15(5-7-16)11-3-1-2-10-9(11)8-13-14-10/h2-4,11H,5-10H2,1H3,(H,15,16);3-5,10-11H,6-9H2,1-2H3,(H,15,16);3-5,10H,6-9H2,1-2H3,(H,14,15);1-3,8H,4-7H2,(H,13,14)(H2,12,17,18).

What are the key properties of 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole?

4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 1223.55 g/mol, XLogP of 2.46, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 159242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).