copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate

C45H36ClCuN14Na3O11S4 — CID 139263176

About copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate

copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate (PubChem CID 139263176) has the molecular formula C45H36ClCuN14Na3O11S4 and a molecular weight of 1245.11 g/mol. Its IUPAC name is copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate.

Molecular Properties

• Compound Name: copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate
• PubChem CID: 139263176
• Molecular Formula: C45H36ClCuN14Na3O11S4
• Molecular Weight: 1245.11 g/mol
• Exact Mass: 1243.02
• IUPAC Name: copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate
• SMILES: CS(=O)(=O)Nc1cccc(Nc2nc(N)nc(Cl)n2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Cu+2].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C32H16N8.C10H11ClN6O2S.3CH4O3S.Cu.3Na/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;1-20(18,19)17-7-4-2-3-6(5-7)13-10-15-8(11)14-9(12)16-10;3*1-5(2,3)4;;;;/h1-16H;2-5,17H,1H3,(H3,12,13,14,15,16);3*1H3,(H,2,3,4);;;;/q-2;;;;;+2;3*+1/p-3
• InChIKey: RTBKMRFYWOHHQT-UHFFFAOYSA-K
• XLogP: -4.16
• TPSA: 400.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1245.11
LogP ≤ 5	-4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate?

The IUPAC name of copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate (CID 139263176) is copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate.

What is the SMILES notation for copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate?

The canonical SMILES for copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate is CS(=O)(=O)Nc1cccc(Nc2nc(N)nc(Cl)n2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Cu+2].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate?

The InChIKey is RTBKMRFYWOHHQT-UHFFFAOYSA-K. The full InChI is InChI=1S/C32H16N8.C10H11ClN6O2S.3CH4O3S.Cu.3Na/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;1-20(18,19)17-7-4-2-3-6(5-7)13-10-15-8(11)14-9(12)16-10;3*1-5(2,3)4;;;;/h1-16H;2-5,17H,1H3,(H3,12,13,14,15,16);3*1H3,(H,2,3,4);;;;/q-2;;;;;+2;3*+1/p-3.

What are the key properties of copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate?

copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate has a molecular weight of 1245.11 g/mol, XLogP of -4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for copper;trisodium;N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanesulfonamide;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;methanesulfonate is sourced from PubChem (CID 139263176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).