5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid

C100H104B2Br3ClN14O18S6 — CID 157275037

About 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid

5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid (PubChem CID 157275037) has the molecular formula C100H104B2Br3ClN14O18S6 and a molecular weight of 2279.20 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid.

Molecular Properties

• Compound Name: 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
• PubChem CID: 157275037
• Molecular Formula: C100H104B2Br3ClN14O18S6
• Molecular Weight: 2279.20 g/mol
• Exact Mass: 2274.34
• IUPAC Name: 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid
• SMILES: C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(CC)CC)c4)c3c2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.CCN(CC)S(=O)(=O)c1cccc(-c2c[nH]c3ncc(Br)cc23)c1.CCN(CC)S(=O)(=O)c1cccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)c1.CCN(CC)S(=O)(=O)c1cccc(B(O)O)c1.Cc1ccc(S(=O)(=O)n2cc(Cl)c3cc(Br)cnc32)cc1
• InChI: InChI=1S/C26H26N4O3S.C24H24BrN3O4S2.C17H18BrN3O2S.C14H10BrClN2O2S.C10H16BNO4S.C9H10BNO3/c1-4-25(31)29-21-11-7-9-18(13-21)20-15-23-24(17-28-26(23)27-16-20)19-10-8-12-22(14-19)34(32,33)30(5-2)6-3;1-4-27(5-2)33(29,30)21-8-6-7-18(13-21)23-16-28(24-22(23)14-19(25)15-26-24)34(31,32)20-11-9-17(3)10-12-20;1-3-21(4-2)24(22,23)14-7-5-6-12(8-14)16-11-20-17-15(16)9-13(18)10-19-17;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h4,7-17H,1,5-6H2,2-3H3,(H,27,28)(H,29,31);6-16H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3,(H,19,20);2-8H,1H3;5-8,13-14H,3-4H2,1-2H3;2-6,13-14H,1H2,(H,11,12)
• InChIKey: AYZNJTOGSMQQSQ-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 449.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.20
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?

The IUPAC name of 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid (CID 157275037) is 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid.

What is the SMILES notation for 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?

The canonical SMILES for 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(CC)CC)c4)c3c2)c1.C=CC(=O)Nc1cccc(B(O)O)c1.CCN(CC)S(=O)(=O)c1cccc(-c2c[nH]c3ncc(Br)cc23)c1.CCN(CC)S(=O)(=O)c1cccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)c1.CCN(CC)S(=O)(=O)c1cccc(B(O)O)c1.Cc1ccc(S(=O)(=O)n2cc(Cl)c3cc(Br)cnc32)cc1.

What is the InChIKey of 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?

The InChIKey is AYZNJTOGSMQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S.C24H24BrN3O4S2.C17H18BrN3O2S.C14H10BrClN2O2S.C10H16BNO4S.C9H10BNO3/c1-4-25(31)29-21-11-7-9-18(13-21)20-15-23-24(17-28-26(23)27-16-20)19-10-8-12-22(14-19)34(32,33)30(5-2)6-3;1-4-27(5-2)33(29,30)21-8-6-7-18(13-21)23-16-28(24-22(23)14-19(25)15-26-24)34(31,32)20-11-9-17(3)10-12-20;1-3-21(4-2)24(22,23)14-7-5-6-12(8-14)16-11-20-17-15(16)9-13(18)10-19-17;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h4,7-17H,1,5-6H2,2-3H3,(H,27,28)(H,29,31);6-16H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3,(H,19,20);2-8H,1H3;5-8,13-14H,3-4H2,1-2H3;2-6,13-14H,1H2,(H,11,12).

What are the key properties of 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid?

5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid has a molecular weight of 2279.20 g/mol, XLogP of 17.00, 30 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-diethylbenzenesulfonamide;3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethylbenzenesulfonamide;[3-(diethylsulfamoyl)phenyl]boronic acid;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;[3-(prop-2-enoylamino)phenyl]boronic acid is sourced from PubChem (CID 157275037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).