pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate

C116H123K5N12O41S11 — CID 157459507

About pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate

pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate (PubChem CID 157459507) has the molecular formula C116H123K5N12O41S11 and a molecular weight of 2889.53 g/mol. Its IUPAC name is pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate.

Molecular Properties

• Compound Name: pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate
• PubChem CID: 157459507
• Molecular Formula: C116H123K5N12O41S11
• Molecular Weight: 2889.53 g/mol
• Exact Mass: 2886.30
• IUPAC Name: pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate
• SMILES: CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.CC1(C)C(C=C2C(=O)C(/C=C3/N(CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2[O-])=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.CC1(C)C(C=C2C(=S)C(/C=C3/N(CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2[S-])=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.[K+].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C39H42N4O15S3.C39H42N4O13S5.C38H44N4O13S3.5K/c1-38(2)26-17-22(60(52,53)54)10-12-28(26)41(16-8-6-7-9-35(47)58-43-33(45)14-15-34(43)46)30(38)19-24-36(48)25(37(24)49)20-31-39(3,4)27-18-23(61(55,56)57)11-13-29(27)42(31)21-32(44)40-59(5,50)51;1-38(2)26-17-22(60(50,51)52)10-12-28(26)41(16-8-6-7-9-35(47)56-43-33(45)14-15-34(43)46)30(38)19-24-36(57)25(37(24)58)20-31-39(3,4)27-18-23(61(53,54)55)11-13-29(27)42(31)21-32(44)40-59(5,48)49;1-37(2)27-22-25(57(49,50)51)15-17-29(27)40(21-11-7-10-14-36(46)55-42-34(44)19-20-35(42)45)31(37)12-8-6-9-13-32-38(3,4)28-23-26(58(52,53)54)16-18-30(28)41(32)24-33(43)39-56(5,47)48;;;;;/h10-13,17-20H,6-9,14-16,21H2,1-5H3,(H3-,40,44,48,49,52,53,54,55,56,57);10-13,17-20H,6-9,14-16,21H2,1-5H3,(H3-,40,44,50,51,52,53,54,55,57,58);6,8-9,12-13,15-18,22-23H,7,10-11,14,19-21,24H2,1-5H3,(H2-,39,43,49,50,51,52,53,54);;;;;/q;;;5*+1/p-5
• InChIKey: ARGWSAZPEBCCQI-UHFFFAOYSA-I
• XLogP: -8.24
• TPSA: 782.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 46
• Rotatable Bonds: 43
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2889.53
LogP ≤ 5	-8.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate?

The IUPAC name of pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate (CID 157459507) is pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate.

What is the SMILES notation for pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate?

The canonical SMILES for pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate is CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.CC1(C)C(C=C2C(=O)C(/C=C3/N(CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2[O-])=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.CC1(C)C(C=C2C(=S)C(/C=C3/N(CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2[S-])=[N+](CC(=O)NS(C)(=O)=O)c2ccc(S(=O)(=O)[O-])cc21.[K+].[K+].[K+].[K+].[K+].

What is the InChIKey of pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate?

The InChIKey is ARGWSAZPEBCCQI-UHFFFAOYSA-I. The full InChI is InChI=1S/C39H42N4O15S3.C39H42N4O13S5.C38H44N4O13S3.5K/c1-38(2)26-17-22(60(52,53)54)10-12-28(26)41(16-8-6-7-9-35(47)58-43-33(45)14-15-34(43)46)30(38)19-24-36(48)25(37(24)49)20-31-39(3,4)27-18-23(61(55,56)57)11-13-29(27)42(31)21-32(44)40-59(5,50)51;1-38(2)26-17-22(60(50,51)52)10-12-28(26)41(16-8-6-7-9-35(47)56-43-33(45)14-15-34(43)46)30(38)19-24-36(57)25(37(24)58)20-31-39(3,4)27-18-23(61(53,54)55)11-13-29(27)42(31)21-32(44)40-59(5,48)49;1-37(2)27-22-25(57(49,50)51)15-17-29(27)40(21-11-7-10-14-36(46)55-42-34(44)19-20-35(42)45)31(37)12-8-6-9-13-32-38(3,4)28-23-26(58(52,53)54)16-18-30(28)41(32)24-33(43)39-56(5,47)48;;;;;/h10-13,17-20H,6-9,14-16,21H2,1-5H3,(H3-,40,44,48,49,52,53,54,55,56,57);10-13,17-20H,6-9,14-16,21H2,1-5H3,(H3-,40,44,50,51,52,53,54,55,57,58);6,8-9,12-13,15-18,22-23H,7,10-11,14,19-21,24H2,1-5H3,(H2-,39,43,49,50,51,52,53,54);;;;;/q;;;5*+1/p-5.

What are the key properties of pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate?

pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate has a molecular weight of 2889.53 g/mol, XLogP of -8.24, 43 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for pentapotassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-2-oxido-4-oxocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]methylidene]-4-sulfanylidene-2-sulfidocyclobuten-1-yl]methylidene]-3,3-dimethylindole-5-sulfonate;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate is sourced from PubChem (CID 157459507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).