4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole

C56H69N15O7S3 — CID 159060540

About 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole

4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole (PubChem CID 159060540) has the molecular formula C56H69N15O7S3 and a molecular weight of 1160.47 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole.

Molecular Properties

• Compound Name: 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
• PubChem CID: 159060540
• Molecular Formula: C56H69N15O7S3
• Molecular Weight: 1160.47 g/mol
• Exact Mass: 1159.47
• IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
• SMILES: CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cccc3[nH]ncc23)CC1
• InChI: InChI=1S/C18H20N4O2S.C13H16N4O.C13H17N3O2S.C12H16N4O2S/c23-25(24,14-15-5-2-1-3-6-15)22-11-9-21(10-12-22)18-8-4-7-17-16(18)13-19-20-17;1-10(18)16-5-7-17(8-6-16)13-4-2-3-12-11(13)9-14-15-12;1-19(17,18)16-7-5-10(6-8-16)11-3-2-4-13-12(11)9-14-15-13;1-19(17,18)16-7-5-15(6-8-16)12-4-2-3-11-10(12)9-13-14-11/h1-8,13H,9-12,14H2,(H,19,20);2-4,9H,5-8H2,1H3,(H,14,15);2-4,9-10H,5-8H2,1H3,(H,14,15);2-4,9H,5-8H2,1H3,(H,13,14)
• InChIKey: JYKHOCACYCRLIO-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 256.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.47
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole (CID 159060540) is 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole.

What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole is CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cccc3[nH]ncc23)CC1.

What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The InChIKey is JYKHOCACYCRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.C13H16N4O.C13H17N3O2S.C12H16N4O2S/c23-25(24,14-15-5-2-1-3-6-15)22-11-9-21(10-12-22)18-8-4-7-17-16(18)13-19-20-17;1-10(18)16-5-7-17(8-6-16)13-4-2-3-12-11(13)9-14-15-12;1-19(17,18)16-7-5-10(6-8-16)11-3-2-4-13-12(11)9-14-15-13;1-19(17,18)16-7-5-15(6-8-16)12-4-2-3-11-10(12)9-13-14-11/h1-8,13H,9-12,14H2,(H,19,20);2-4,9H,5-8H2,1H3,(H,14,15);2-4,9-10H,5-8H2,1H3,(H,14,15);2-4,9H,5-8H2,1H3,(H,13,14).

What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole has a molecular weight of 1160.47 g/mol, XLogP of 5.79, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole is sourced from PubChem (CID 159060540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).