4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole

C58H68Cl2N14O9S3 — CID 159383821

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole

4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole (PubChem CID 159383821) has the molecular formula C58H68Cl2N14O9S3 and a molecular weight of 1272.38 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole.

Molecular Properties

• Compound Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole
• PubChem CID: 159383821
• Molecular Formula: C58H68Cl2N14O9S3
• Molecular Weight: 1272.38 g/mol
• Exact Mass: 1270.38
• IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole
• SMILES: CC(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C17H17ClN4O2S.C14H17ClN4O2S.C14H17N3O2.C13H17N3O3S/c18-13-10-16-15(12-19-20-16)17(11-13)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14;15-10-7-13-12(9-16-17-13)14(8-10)18-3-5-19(6-4-18)22(20,21)11-1-2-11;1-10(18)17-7-5-11(6-8-17)19-14-4-2-3-13-12(14)9-15-16-13;1-20(17,18)16-7-5-10(6-8-16)19-13-4-2-3-12-11(13)9-14-15-12/h1-5,10-12H,6-9H2,(H,19,20);7-9,11H,1-6H2,(H,16,17);2-4,9,11H,5-8H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15)
• InChIKey: LLFZIKFLUXBNJU-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 272.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.38
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole?

The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole (CID 159383821) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole.

What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole?

The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole is CC(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole?

The InChIKey is LLFZIKFLUXBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S.C14H17ClN4O2S.C14H17N3O2.C13H17N3O3S/c18-13-10-16-15(12-19-20-16)17(11-13)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14;15-10-7-13-12(9-16-17-13)14(8-10)18-3-5-19(6-4-18)22(20,21)11-1-2-11;1-10(18)17-7-5-11(6-8-17)19-14-4-2-3-13-12(14)9-15-16-13;1-20(17,18)16-7-5-10(6-8-16)19-13-4-2-3-12-11(13)9-14-15-12/h1-5,10-12H,6-9H2,(H,19,20);7-9,11H,1-6H2,(H,16,17);2-4,9,11H,5-8H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15).

What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole?

4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole has a molecular weight of 1272.38 g/mol, XLogP of 7.88, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole is sourced from PubChem (CID 159383821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).