5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid

C68H50BBrCl3F3N6O9S2 — CID 159932853

About 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid

5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid (PubChem CID 159932853) has the molecular formula C68H50BBrCl3F3N6O9S2 and a molecular weight of 1413.38 g/mol. Its IUPAC name is 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid.

Molecular Properties

• Compound Name: 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid
• PubChem CID: 159932853
• Molecular Formula: C68H50BBrCl3F3N6O9S2
• Molecular Weight: 1413.38 g/mol
• Exact Mass: 1410.14
• IUPAC Name: 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid
• SMILES: Cc1ccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)o1.Cc1ccc(B(O)O)o1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(F)c3Cl)c3cc(-c4ccc(C)o4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(F)c3Cl)c3cc(Br)cnc32)cc1
• InChI: InChI=1S/C25H18ClFN2O3S.C20H13BrClFN2O2S.C18H12ClFN2O.C5H7BO3/c1-15-6-9-18(10-7-15)33(30,31)29-14-21(19-4-3-5-22(27)24(19)26)20-12-17(13-28-25(20)29)23-11-8-16(2)32-23;1-12-5-7-14(8-6-12)28(26,27)25-11-17(15-3-2-4-18(23)19(15)22)16-9-13(21)10-24-20(16)25;1-10-5-6-16(23-10)11-7-13-14(9-22-18(13)21-8-11)12-3-2-4-15(20)17(12)19;1-4-2-3-5(9-4)6(7)8/h3-14H,1-2H3;2-11H,1H3;2-9H,1H3,(H,21,22);2-3,7-8H,1H3
• InChIKey: NZWFFYZCSZOBHH-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 212.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.38
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid?

The IUPAC name of 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid (CID 159932853) is 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid.

What is the SMILES notation for 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid?

The canonical SMILES for 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid is Cc1ccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)o1.Cc1ccc(B(O)O)o1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(F)c3Cl)c3cc(-c4ccc(C)o4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(F)c3Cl)c3cc(Br)cnc32)cc1.

What is the InChIKey of 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid?

The InChIKey is NZWFFYZCSZOBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O3S.C20H13BrClFN2O2S.C18H12ClFN2O.C5H7BO3/c1-15-6-9-18(10-7-15)33(30,31)29-14-21(19-4-3-5-22(27)24(19)26)20-12-17(13-28-25(20)29)23-11-8-16(2)32-23;1-12-5-7-14(8-6-12)28(26,27)25-11-17(15-3-2-4-18(23)19(15)22)16-9-13(21)10-24-20(16)25;1-10-5-6-16(23-10)11-7-13-14(9-22-18(13)21-8-11)12-3-2-4-15(20)17(12)19;1-4-2-3-5(9-4)6(7)8/h3-14H,1-2H3;2-11H,1H3;2-9H,1H3,(H,21,22);2-3,7-8H,1H3.

What are the key properties of 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid?

5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid has a molecular weight of 1413.38 g/mol, XLogP of 17.27, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(2-chloro-3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluorophenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;(5-methylfuran-2-yl)boronic acid is sourced from PubChem (CID 159932853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).