tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)

C101H88K3N23Na4NiO35S14Zn — CID 157401471

About tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)

tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+) (PubChem CID 157401471) has the molecular formula C101H88K3N23Na4NiO35S14Zn and a molecular weight of 2966.22 g/mol. Its IUPAC name is tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+).

Molecular Properties

• Compound Name: tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)
• PubChem CID: 157401471
• Molecular Formula: C101H88K3N23Na4NiO35S14Zn
• Molecular Weight: 2966.22 g/mol
• Exact Mass: 2960.90
• IUPAC Name: tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)
• SMILES: CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)c1cccc(S(=O)(=O)[O-])c1.CNS(=O)(=O)c1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CSOONc1cccc(S(=O)(=O)[O-])c1.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Ni+2].[Zn+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/2C32H16N8.4C7H9NO5S2.3C3H9NO5S2.3K.4Na.Ni.Zn/c2*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-14(9,10)8-6-3-2-4-7(5-6)15(11,12)13;1-14-13-12-8-6-3-2-4-7(5-6)15(9,10)11;2*1-8-14(9,10)6-3-2-4-7(5-6)15(11,12)13;3*1-4-10(5,6)2-3-11(7,8)9;;;;;;;;;/h2*1-16H;2-5,8H,1H3,(H,11,12,13);2-5,8H,1H3,(H,9,10,11);2*2-5,8H,1H3,(H,11,12,13);3*4H,2-3H2,1H3,(H,7,8,9);;;;;;;;;/q2*-2;;;;;;;;7*+1;2*+2/p-7
• InChIKey: BNFGXYMDKVRNKS-UHFFFAOYSA-G
• XLogP: -14.38
• TPSA: 918.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2966.22
LogP ≤ 5	-14.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)?

The IUPAC name of tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+) (CID 157401471) is tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+).

What is the SMILES notation for tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)?

The canonical SMILES for tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+) is CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)CCS(=O)(=O)[O-].CNS(=O)(=O)c1cccc(S(=O)(=O)[O-])c1.CNS(=O)(=O)c1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CSOONc1cccc(S(=O)(=O)[O-])c1.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Ni+2].[Zn+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)?

The InChIKey is BNFGXYMDKVRNKS-UHFFFAOYSA-G. The full InChI is InChI=1S/2C32H16N8.4C7H9NO5S2.3C3H9NO5S2.3K.4Na.Ni.Zn/c2*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-14(9,10)8-6-3-2-4-7(5-6)15(11,12)13;1-14-13-12-8-6-3-2-4-7(5-6)15(9,10)11;2*1-8-14(9,10)6-3-2-4-7(5-6)15(11,12)13;3*1-4-10(5,6)2-3-11(7,8)9;;;;;;;;;/h2*1-16H;2-5,8H,1H3,(H,11,12,13);2-5,8H,1H3,(H,9,10,11);2*2-5,8H,1H3,(H,11,12,13);3*4H,2-3H2,1H3,(H,7,8,9);;;;;;;;;/q2*-2;;;;;;;;7*+1;2*+2/p-7.

What are the key properties of tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+)?

tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+) has a molecular weight of 2966.22 g/mol, XLogP of -14.38, 26 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for tripotassium;tetrasodium;zinc;bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);3-(methanesulfonamido)benzenesulfonate;bis(3-(methylsulfamoyl)benzenesulfonate);tris(2-(methylsulfamoyl)ethanesulfonate);3-(methylsulfanylperoxyamino)benzenesulfonate;nickel(2+) is sourced from PubChem (CID 157401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).