5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid

C85H63B2Br2Cl4IN8O10S6 — CID 159261239

About 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid

5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid (PubChem CID 159261239) has the molecular formula C85H63B2Br2Cl4IN8O10S6 and a molecular weight of 1999.03 g/mol. Its IUPAC name is 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid.

Molecular Properties

• Compound Name: 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid
• PubChem CID: 159261239
• Molecular Formula: C85H63B2Br2Cl4IN8O10S6
• Molecular Weight: 1999.03 g/mol
• Exact Mass: 1993.93
• IUPAC Name: 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3Cl)c3cc(-c4ccsc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3Cl)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.OB(O)c1ccccc1Cl.OB(O)c1ccsc1
• InChI: InChI=1S/C24H17ClN2O2S2.C20H14BrClN2O2S.C17H11ClN2S.C14H10BrIN2O2S.C6H6BClO2.C4H5BO2S/c1-16-6-8-19(9-7-16)31(28,29)27-14-22(20-4-2-3-5-23(20)25)21-12-18(13-26-24(21)27)17-10-11-30-15-17;1-13-6-8-15(9-7-13)27(25,26)24-12-18(16-4-2-3-5-19(16)22)17-10-14(21)11-23-20(17)24;18-16-4-2-1-3-13(16)15-9-20-17-14(15)7-12(8-19-17)11-5-6-21-10-11;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;8-6-4-2-1-3-5(6)7(9)10;6-5(7)4-1-2-8-3-4/h2-15H,1H3;2-12H,1H3;1-10H,(H,19,20);2-8H,1H3;1-4,9-10H;1-3,6-7H
• InChIKey: KWNNLBJSURQETB-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 265.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.03
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid?

The IUPAC name of 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid (CID 159261239) is 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid.

What is the SMILES notation for 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid?

The canonical SMILES for 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3Cl)c3cc(-c4ccsc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3Cl)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.OB(O)c1ccccc1Cl.OB(O)c1ccsc1.

What is the InChIKey of 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid?

The InChIKey is KWNNLBJSURQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2S2.C20H14BrClN2O2S.C17H11ClN2S.C14H10BrIN2O2S.C6H6BClO2.C4H5BO2S/c1-16-6-8-19(9-7-16)31(28,29)27-14-22(20-4-2-3-5-23(20)25)21-12-18(13-26-24(21)27)17-10-11-30-15-17;1-13-6-8-15(9-7-13)27(25,26)24-12-18(16-4-2-3-5-19(16)22)17-10-14(21)11-23-20(17)24;18-16-4-2-1-3-13(16)15-9-20-17-14(15)7-12(8-19-17)11-5-6-21-10-11;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;8-6-4-2-1-3-5(6)7(9)10;6-5(7)4-1-2-8-3-4/h2-15H,1H3;2-12H,1H3;1-10H,(H,19,20);2-8H,1H3;1-4,9-10H;1-3,6-7H.

What are the key properties of 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid?

5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid has a molecular weight of 1999.03 g/mol, XLogP of 21.30, 13 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;thiophen-3-ylboronic acid is sourced from PubChem (CID 159261239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).