copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)

C100H142Cl2Cu2N18O28S12 — CID 157347079

About copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)

copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide) (PubChem CID 157347079) has the molecular formula C100H142Cl2Cu2N18O28S12 and a molecular weight of 2627.14 g/mol. Its IUPAC name is copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide).

Molecular Properties

• Compound Name: copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)
• PubChem CID: 157347079
• Molecular Formula: C100H142Cl2Cu2N18O28S12
• Molecular Weight: 2627.14 g/mol
• Exact Mass: 2622.49
• IUPAC Name: copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)
• SMILES: CC(C)OCCCNS(=O)(=O)CCCS(=O)(=O)c1ccc(C#N)c(C#N)c1.CC(C)OCCCNS(=O)(=O)CCCS(C)(=O)=O.CC(C)OCCCNS(=O)(=O)CCCS(C)(=O)=O.CSOOCCCSOONCC(C)O.Cl[Cu]Cl.[Cu+2].[H]N=S(=O)(CCCOC(C)C)CCCS(C)(=O)=O.[H]N=S(=O)(CCCS(=O)(=O)c1ccc(C#N)c(C#N)c1)CC(C)O.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C32H16N8.C17H23N3O5S2.C14H17N3O4S2.2C10H23NO5S2.C10H23NO4S2.C7H17NO5S2.2ClH.2Cu/c1-2-10-18-17(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(2)25-8-3-7-20-27(23,24)10-4-9-26(21,22)17-6-5-15(12-18)16(11-17)13-19;1-11(18)10-22(17,19)5-2-6-23(20,21)14-4-3-12(8-15)13(7-14)9-16;2*1-10(2)16-7-4-6-11-18(14,15)9-5-8-17(3,12)13;1-10(2)15-6-4-8-17(11,14)9-5-7-16(3,12)13;1-7(9)6-8-11-13-15-5-3-4-10-12-14-2;;;;/h1-16H;5-6,11,14,20H,3-4,7-10H2,1-2H3;3-4,7,11,17-18H,2,5-6,10H2,1H3;2*10-11H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;7-9H,3-6H2,1-2H3;2*1H;;/q-2;;;;;;;;;2*+2/p-2
• InChIKey: BHCDQOKBSYBXIU-UHFFFAOYSA-L
• XLogP: 12.53
• TPSA: 718.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 58
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2627.14
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)?

The IUPAC name of copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide) (CID 157347079) is copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide).

What is the SMILES notation for copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)?

The canonical SMILES for copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide) is CC(C)OCCCNS(=O)(=O)CCCS(=O)(=O)c1ccc(C#N)c(C#N)c1.CC(C)OCCCNS(=O)(=O)CCCS(C)(=O)=O.CC(C)OCCCNS(=O)(=O)CCCS(C)(=O)=O.CSOOCCCSOONCC(C)O.Cl[Cu]Cl.[Cu+2].[H]N=S(=O)(CCCOC(C)C)CCCS(C)(=O)=O.[H]N=S(=O)(CCCS(=O)(=O)c1ccc(C#N)c(C#N)c1)CC(C)O.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)?

The InChIKey is BHCDQOKBSYBXIU-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H16N8.C17H23N3O5S2.C14H17N3O4S2.2C10H23NO5S2.C10H23NO4S2.C7H17NO5S2.2ClH.2Cu/c1-2-10-18-17(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(2)25-8-3-7-20-27(23,24)10-4-9-26(21,22)17-6-5-15(12-18)16(11-17)13-19;1-11(18)10-22(17,19)5-2-6-23(20,21)14-4-3-12(8-15)13(7-14)9-16;2*1-10(2)16-7-4-6-11-18(14,15)9-5-8-17(3,12)13;1-10(2)15-6-4-8-17(11,14)9-5-7-16(3,12)13;1-7(9)6-8-11-13-15-5-3-4-10-12-14-2;;;;/h1-16H;5-6,11,14,20H,3-4,7-10H2,1-2H3;3-4,7,11,17-18H,2,5-6,10H2,1H3;2*10-11H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;7-9H,3-6H2,1-2H3;2*1H;;/q-2;;;;;;;;;2*+2/p-2.

What are the key properties of copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide)?

copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide) has a molecular weight of 2627.14 g/mol, XLogP of 12.53, 58 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for copper;dichlorocopper;3-(3,4-dicyanophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide;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;4-[3-(2-hydroxypropylsulfonimidoyl)propylsulfonyl]benzene-1,2-dicarbonitrile;imino-(3-methylsulfonylpropyl)-oxo-(3-propan-2-yloxypropyl)-λ6-sulfane;1-(3-methylsulfanylperoxypropylsulfanylperoxyamino)propan-2-ol;bis(3-methylsulfonyl-N-(3-propan-2-yloxypropyl)propane-1-sulfonamide) is sourced from PubChem (CID 157347079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).