octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate

C83H82F9N17Na8O36S8 — CID 161134867

IUPACoctasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate
SMILESCCCCn1c(O)c(C(N)=O)c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(C(N)=O)c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(CS(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C17H17F3N4O6S.C17H18F3N3O8S2.C17H20N4O6S.C16H16F3N3O8S2.C16H19N3O8S2.8Na/c1-2-3-7-24-15(26)11(14(21)25)12(17(18,19)20)13(16(24)27)23-22-9-5-4-6-10(8-9)31-30-29-28;1-2-3-7-23-15(24)12(9-33(27,28)29)13(17(18,19)20)14(16(23)25)22-21-10-5-4-6-11(8-10)32-31-30-26;1-3-4-8-21-16(23)13(15(18)22)10(2)14(17(21)24)20-19-11-6-5-7-12(9-11)28-27-26-25;1-2-3-7-22-14(23)12(11(16(17,18)19)13(15(22)24)32(26,27)28)21-20-9-5-4-6-10(8-9)31-30-29-25;1-3-4-8-19-15(20)13(10(2)14(16(19)21)29(23,24)25)18-17-11-6-5-7-12(9-11)28-27-26-22;;;;;;;;/h4-6,8,26,28H,2-3,7H2,1H3,(H2,21,25);4-6,8,24,26H,2-3,7,9H2,1H3,(H,27,28,29);5-7,9,23,25H,3-4,8H2,1-2H3,(H2,18,22);4-6,8,24-25H,2-3,7H2,1H3,(H,26,27,28);5-7,9,21-22H,3-4,8H2,1-2H3,(H,23,24,25);;;;;;;;/q;;;;;8*+1/p-8/b23-22+;22-21+;20-19+;21-20+;18-17+;;;;;;;;
InChIKeyDGXGUPKSTCROOU-OUSNMCJMSA-F
MW2505.09 g/mol
LogP-10.24
Rot. Bonds46

About octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate

octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate (PubChem CID 161134867) has the molecular formula C83H82F9N17Na8O36S8 and a molecular weight of 2505.09 g/mol. Its IUPAC name is octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate.

Molecular Properties

Compound Nameoctasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate
PubChem CID161134867
Molecular FormulaC83H82F9N17Na8O36S8
Molecular Weight2505.09 g/mol
Exact Mass2503.19
IUPAC Nameoctasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate
SMILESCCCCn1c(O)c(C(N)=O)c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(C(N)=O)c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(CS(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C17H17F3N4O6S.C17H18F3N3O8S2.C17H20N4O6S.C16H16F3N3O8S2.C16H19N3O8S2.8Na/c1-2-3-7-24-15(26)11(14(21)25)12(17(18,19)20)13(16(24)27)23-22-9-5-4-6-10(8-9)31-30-29-28;1-2-3-7-23-15(24)12(9-33(27,28)29)13(17(18,19)20)14(16(23)25)22-21-10-5-4-6-11(8-10)32-31-30-26;1-3-4-8-21-16(23)13(15(18)22)10(2)14(17(21)24)20-19-11-6-5-7-12(9-11)28-27-26-25;1-2-3-7-22-14(23)12(11(16(17,18)19)13(15(22)24)32(26,27)28)21-20-9-5-4-6-10(8-9)31-30-29-25;1-3-4-8-19-15(20)13(10(2)14(16(19)21)29(23,24)25)18-17-11-6-5-7-12(9-11)28-27-26-22;;;;;;;;/h4-6,8,26,28H,2-3,7H2,1H3,(H2,21,25);4-6,8,24,26H,2-3,7,9H2,1H3,(H,27,28,29);5-7,9,23,25H,3-4,8H2,1-2H3,(H2,18,22);4-6,8,24-25H,2-3,7H2,1H3,(H,26,27,28);5-7,9,21-22H,3-4,8H2,1-2H3,(H,23,24,25);;;;;;;;/q;;;;;8*+1/p-8/b23-22+;22-21+;20-19+;21-20+;18-17+;;;;;;;;
InChIKeyDGXGUPKSTCROOU-OUSNMCJMSA-F
XLogP-10.24
TPSA800.13 Ų
H-Bond Donors7
H-Bond Acceptors56
Rotatable Bonds46
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.09
LogP ≤ 5-10.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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'}

Analyze octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate?
The IUPAC name of octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate (CID 161134867) is octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate.
What is the SMILES notation for octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate?
The canonical SMILES for octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate is CCCCn1c(O)c(C(N)=O)c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(C(N)=O)c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(CS(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C(F)(F)F)c(/N=N/c2cccc(SOO[O-])c2)c1=O.CCCCn1c(O)c(S(=O)(=O)[O-])c(C)c(/N=N/c2cccc(SOO[O-])c2)c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate?
The InChIKey is DGXGUPKSTCROOU-OUSNMCJMSA-F. The full InChI is InChI=1S/C17H17F3N4O6S.C17H18F3N3O8S2.C17H20N4O6S.C16H16F3N3O8S2.C16H19N3O8S2.8Na/c1-2-3-7-24-15(26)11(14(21)25)12(17(18,19)20)13(16(24)27)23-22-9-5-4-6-10(8-9)31-30-29-28;1-2-3-7-23-15(24)12(9-33(27,28)29)13(17(18,19)20)14(16(23)25)22-21-10-5-4-6-11(8-10)32-31-30-26;1-3-4-8-21-16(23)13(15(18)22)10(2)14(17(21)24)20-19-11-6-5-7-12(9-11)28-27-26-25;1-2-3-7-22-14(23)12(11(16(17,18)19)13(15(22)24)32(26,27)28)21-20-9-5-4-6-10(8-9)31-30-29-25;1-3-4-8-19-15(20)13(10(2)14(16(19)21)29(23,24)25)18-17-11-6-5-7-12(9-11)28-27-26-22;;;;;;;;/h4-6,8,26,28H,2-3,7H2,1H3,(H2,21,25);4-6,8,24,26H,2-3,7,9H2,1H3,(H,27,28,29);5-7,9,23,25H,3-4,8H2,1-2H3,(H2,18,22);4-6,8,24-25H,2-3,7H2,1H3,(H,26,27,28);5-7,9,21-22H,3-4,8H2,1-2H3,(H,23,24,25);;;;;;;;/q;;;;;8*+1/p-8/b23-22+;22-21+;20-19+;21-20+;18-17+;;;;;;;;.
What are the key properties of octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate?
octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate has a molecular weight of 2505.09 g/mol, XLogP of -10.24, 46 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-carboxamide;1-butyl-2-hydroxy-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxopyridine-3-sulfonate;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide;1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-sulfonate;[1-butyl-2-hydroxy-5-[(3-oxidoperoxysulfanylphenyl)diazenyl]-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonate is sourced from PubChem (CID 161134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).