copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid

C35H31CuN11O10S4 — CID 161461335

About copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid

copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid (PubChem CID 161461335) has the molecular formula C35H31CuN11O10S4 and a molecular weight of 957.51 g/mol. Its IUPAC name is copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid.

Molecular Properties

• Compound Name: copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid
• PubChem CID: 161461335
• Molecular Formula: C35H31CuN11O10S4
• Molecular Weight: 957.51 g/mol
• Exact Mass: 956.04
• IUPAC Name: copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid
• SMILES: CS(=O)(=O)NCS(=O)(=O)O.CS(=O)(=O)O.CS(N)(=O)=O.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3[n-]c(nc4nc(n1)-c1ncccc1-4)c1ccccc31)c1ccccc21
• InChI: InChI=1S/C31H15N9.C2H7NO5S2.CH5NO2S.CH4O3S.Cu/c1-2-9-17-16(8-1)24-33-25(17)35-27-20-12-5-6-13-21(20)29(37-27)39-31-23-22(14-7-15-32-23)30(40-31)38-28-19-11-4-3-10-18(19)26(34-24)36-28;1-9(4,5)3-2-10(6,7)8;2*1-5(2,3)4;/h1-15H;3H,2H2,1H3,(H,6,7,8);1H3,(H2,2,3,4);1H3,(H,2,3,4);/q-2;;;;+2
• InChIKey: LHEUGWWTSYOBII-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 333.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.51
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid?

The IUPAC name of copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid (CID 161461335) is copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid.

What is the SMILES notation for copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid?

The canonical SMILES for copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid is CS(=O)(=O)NCS(=O)(=O)O.CS(=O)(=O)O.CS(N)(=O)=O.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3[n-]c(nc4nc(n1)-c1ncccc1-4)c1ccccc31)c1ccccc21.

What is the InChIKey of copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid?

The InChIKey is LHEUGWWTSYOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H15N9.C2H7NO5S2.CH5NO2S.CH4O3S.Cu/c1-2-9-17-16(8-1)24-33-25(17)35-27-20-12-5-6-13-21(20)29(37-27)39-31-23-22(14-7-15-32-23)30(40-31)38-28-19-11-4-3-10-18(19)26(34-24)36-28;1-9(4,5)3-2-10(6,7)8;2*1-5(2,3)4;/h1-15H;3H,2H2,1H3,(H,6,7,8);1H3,(H2,2,3,4);1H3,(H,2,3,4);/q-2;;;;+2.

What are the key properties of copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid?

copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid has a molecular weight of 957.51 g/mol, XLogP of 2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for copper;2,5,11,20,29,37,40-heptaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaene;methanesulfonamide;methanesulfonamidomethanesulfonic acid;methanesulfonic acid is sourced from PubChem (CID 161461335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).