sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C111H104B2Br2IN14NaO19S7 — CID 159366266

About sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 159366266) has the molecular formula C111H104B2Br2IN14NaO19S7 and a molecular weight of 2493.93 g/mol. Its IUPAC name is sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• PubChem CID: 159366266
• Molecular Formula: C111H104B2Br2IN14NaO19S7
• Molecular Weight: 2493.93 g/mol
• Exact Mass: 2490.31
• IUPAC Name: sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• SMILES: CC1(C)OB(c2cccc(S(N)(=O)=O)c2)OC1(C)C.CC1(C)OB(c2cccc3[nH]ccc23)OC1(C)C.Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(N)(=O)=O)c3)cc3c(-c4cccc5c4C=CC5)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(N)(=O)=O)c3)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(Br)ccnc32)cc1.NS(=O)(=O)c1cccc(-c2cc3c(-c4cccc5c4C=CC5)ccnc3[nH]2)c1.[NH-]O.[Na+]
• InChI: InChI=1S/C29H23N3O4S2.C22H17N3O2S.C20H16BrN3O4S2.C14H18BNO2.C14H10BrIN2O2S.C12H18BNO4S.H2NO.Na/c1-19-11-13-22(14-12-19)38(35,36)32-28(21-7-2-8-23(17-21)37(30,33)34)18-27-26(15-16-31-29(27)32)25-10-4-6-20-5-3-9-24(20)25;23-28(26,27)16-7-1-6-15(12-16)21-13-20-19(10-11-24-22(20)25-21)18-9-3-5-14-4-2-8-17(14)18;1-13-5-7-15(8-6-13)30(27,28)24-19(12-17-18(21)9-10-23-20(17)24)14-3-2-4-16(11-14)29(22,25)26;1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12;1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18;1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16;1-2;/h2-4,6-18H,5H2,1H3,(H2,30,33,34);1-3,5-13H,4H2,(H,24,25)(H2,23,26,27);2-12H,1H3,(H2,22,25,26);5-9,16H,1-4H3;2-8H,1H3;5-8H,1-4H3,(H2,14,15,16);1-2H;/q;;;;;;-1;+1
• InChIKey: LJDWYGNAQIKGRU-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 521.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2493.93
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

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'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The IUPAC name of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 159366266) is sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

What is the SMILES notation for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The canonical SMILES for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is CC1(C)OB(c2cccc(S(N)(=O)=O)c2)OC1(C)C.CC1(C)OB(c2cccc3[nH]ccc23)OC1(C)C.Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(N)(=O)=O)c3)cc3c(-c4cccc5c4C=CC5)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(N)(=O)=O)c3)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(Br)ccnc32)cc1.NS(=O)(=O)c1cccc(-c2cc3c(-c4cccc5c4C=CC5)ccnc3[nH]2)c1.[NH-]O.[Na+].

What is the InChIKey of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The InChIKey is LJDWYGNAQIKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4S2.C22H17N3O2S.C20H16BrN3O4S2.C14H18BNO2.C14H10BrIN2O2S.C12H18BNO4S.H2NO.Na/c1-19-11-13-22(14-12-19)38(35,36)32-28(21-7-2-8-23(17-21)37(30,33)34)18-27-26(15-16-31-29(27)32)25-10-4-6-20-5-3-9-24(20)25;23-28(26,27)16-7-1-6-15(12-16)21-13-20-19(10-11-24-22(20)25-21)18-9-3-5-14-4-2-8-17(14)18;1-13-5-7-15(8-6-13)30(27,28)24-19(12-17-18(21)9-10-23-20(17)24)14-3-2-4-16(11-14)29(22,25)26;1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12;1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18;1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16;1-2;/h2-4,6-18H,5H2,1H3,(H2,30,33,34);1-3,5-13H,4H2,(H,24,25)(H2,23,26,27);2-12H,1H3,(H2,22,25,26);5-9,16H,1-4H3;2-8H,1H3;5-8H,1-4H3,(H2,14,15,16);1-2H;/q;;;;;;-1;+1.

What are the key properties of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 2493.93 g/mol, XLogP of 17.39, 17 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;hydroxyazanide;3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-[4-(1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 159366266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).