1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile

C101H74Br3I2N15O13S3 — CID 162126218

About 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile

1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile (PubChem CID 162126218) has the molecular formula C101H74Br3I2N15O13S3 and a molecular weight of 2295.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
• PubChem CID: 162126218
• Molecular Formula: C101H74Br3I2N15O13S3
• Molecular Weight: 2295.52 g/mol
• Exact Mass: 2291.04
• IUPAC Name: 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
• SMILES: Brc1ccnc2[nH]c(I)cc12.N#Cc1cc(-c2ccnc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2cc(-c2ccc4c(c2)C(=O)NC4)n3S(=O)(=O)c2ccccc2)ccc1OC1CCOCC1.O=C1NCc2ccc(-c3cc4c(Br)ccnc4n3S(=O)(=O)c3ccccc3)cc21.O=S(=O)(c1ccccc1)n1c(I)cc2c(Br)ccnc21
• InChI: InChI=1S/C33H26N4O5S.C27H22N4O3.C21H14BrN3O3S.C13H8BrIN2O2S.C7H4BrIN2/c34-19-24-16-21(8-9-31(24)42-25-11-14-41-15-12-25)27-10-13-35-32-29(27)18-30(22-6-7-23-20-36-33(38)28(23)17-22)37(32)43(39,40)26-4-2-1-3-5-26;28-14-19-11-16(3-4-25(19)34-20-6-9-33-10-7-20)21-5-8-29-26-23(21)13-24(31-26)17-1-2-18-15-30-27(32)22(18)12-17;22-18-8-9-23-20-17(18)11-19(13-6-7-14-12-24-21(26)16(14)10-13)25(20)29(27,28)15-4-2-1-3-5-15;14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9;8-5-1-2-10-7-4(5)3-6(9)11-7/h1-10,13,16-18,25H,11-12,14-15,20H2,(H,36,38);1-5,8,11-13,20H,6-7,9-10,15H2,(H,29,31)(H,30,32);1-11H,12H2,(H,24,26);1-8H;1-3H,(H,10,11)
• InChIKey: ZIBGVPDHPBXBDB-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 385.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.52
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?

The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile (CID 162126218) is 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile.

What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?

The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile is Brc1ccnc2[nH]c(I)cc12.N#Cc1cc(-c2ccnc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2cc(-c2ccc4c(c2)C(=O)NC4)n3S(=O)(=O)c2ccccc2)ccc1OC1CCOCC1.O=C1NCc2ccc(-c3cc4c(Br)ccnc4n3S(=O)(=O)c3ccccc3)cc21.O=S(=O)(c1ccccc1)n1c(I)cc2c(Br)ccnc21.

What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?

The InChIKey is ZIBGVPDHPBXBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O5S.C27H22N4O3.C21H14BrN3O3S.C13H8BrIN2O2S.C7H4BrIN2/c34-19-24-16-21(8-9-31(24)42-25-11-14-41-15-12-25)27-10-13-35-32-29(27)18-30(22-6-7-23-20-36-33(38)28(23)17-22)37(32)43(39,40)26-4-2-1-3-5-26;28-14-19-11-16(3-4-25(19)34-20-6-9-33-10-7-20)21-5-8-29-26-23(21)13-24(31-26)17-1-2-18-15-30-27(32)22(18)12-17;22-18-8-9-23-20-17(18)11-19(13-6-7-14-12-24-21(26)16(14)10-13)25(20)29(27,28)15-4-2-1-3-5-15;14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9;8-5-1-2-10-7-4(5)3-6(9)11-7/h1-10,13,16-18,25H,11-12,14-15,20H2,(H,36,38);1-5,8,11-13,20H,6-7,9-10,15H2,(H,29,31)(H,30,32);1-11H,12H2,(H,24,26);1-8H;1-3H,(H,10,11).

What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?

1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile has a molecular weight of 2295.52 g/mol, XLogP of 20.37, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2,3-dihydroisoindol-1-one;5-[1-(benzenesulfonyl)-2-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 162126218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).