potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide

C106H102BClI3KN15NaO13S3 — CID 159005658

About potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide

potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide (PubChem CID 159005658) has the molecular formula C106H102BClI3KN15NaO13S3 and a molecular weight of 2379.34 g/mol. Its IUPAC name is potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide.

Molecular Properties

• Compound Name: potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide
• PubChem CID: 159005658
• Molecular Formula: C106H102BClI3KN15NaO13S3
• Molecular Weight: 2379.34 g/mol
• Exact Mass: 2377.34
• IUPAC Name: potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide
• SMILES: C.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3SOOc2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3SOOc2ccccc2)cc1.II.O=S(=O)(Cl)c1ccccc1.OB(O)c1ccoc1.[K+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C25H21N3O3S.C21H18IN3O2S.C19H17N3O.2C15H15N3.C6H5ClO2S.C4H5BO3.CH4.I2.K.Na.2H2O/c1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-29-17-19)16-28(25(23)26-15-20)32-31-30-22-6-4-3-5-7-22;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28-27-26-18-6-4-3-5-7-18;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;2*1-18(2)14-5-3-11(4-6-14)13-9-12-7-8-16-15(12)17-10-13;7-10(8,9)6-4-2-1-3-5-6;6-5(7)4-1-2-8-3-4;;1-2;;;;/h3-17H,1-2H3;3-14H,1-2H3;3-12H,1-2H3,(H,20,21);2*3-10H,1-2H3,(H,16,17);1-5H;1-3,6-7H;1H4;;;;2*1H2/q;;;;;;;;;2*+1;;/p-2
• InChIKey: JRWRHZMKMMBGBS-UHFFFAOYSA-L
• XLogP: 20.03
• TPSA: 348.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2379.34
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide?

The IUPAC name of potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide (CID 159005658) is potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide.

What is the SMILES notation for potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide?

The canonical SMILES for potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide is C.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3SOOc2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3SOOc2ccccc2)cc1.II.O=S(=O)(Cl)c1ccccc1.OB(O)c1ccoc1.[K+].[Na+].[OH-].[OH-].

What is the InChIKey of potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide?

The InChIKey is JRWRHZMKMMBGBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H21N3O3S.C21H18IN3O2S.C19H17N3O.2C15H15N3.C6H5ClO2S.C4H5BO3.CH4.I2.K.Na.2H2O/c1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-29-17-19)16-28(25(23)26-15-20)32-31-30-22-6-4-3-5-7-22;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28-27-26-18-6-4-3-5-7-18;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;2*1-18(2)14-5-3-11(4-6-14)13-9-12-7-8-16-15(12)17-10-13;7-10(8,9)6-4-2-1-3-5-6;6-5(7)4-1-2-8-3-4;;1-2;;;;/h3-17H,1-2H3;3-14H,1-2H3;3-12H,1-2H3,(H,20,21);2*3-10H,1-2H3,(H,16,17);1-5H;1-3,6-7H;1H4;;;;2*1H2/q;;;;;;;;;2*+1;;/p-2.

What are the key properties of potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide?

potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide has a molecular weight of 2379.34 g/mol, XLogP of 20.03, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide is sourced from PubChem (CID 159005658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).