1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)

C157H108F3I8N17O18S10 — CID 162074664

About 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)

1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine) (PubChem CID 162074664) has the molecular formula C157H108F3I8N17O18S10 and a molecular weight of 3913.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine).

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)
• PubChem CID: 162074664
• Molecular Formula: C157H108F3I8N17O18S10
• Molecular Weight: 3913.59 g/mol
• Exact Mass: 3910.76
• IUPAC Name: 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)
• SMILES: CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccccc1-c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21
• InChI: InChI=1S/C25H17IN2O3S.C21H18IN3O2S.C20H15IN2O3S.C19H11F2IN2O2S.C19H12FIN2O2S.C19H13IN2O2S.2C17H11IN2O2S2/c26-23-17-28(32(29,30)20-11-5-2-6-12-20)25-22(23)15-18(16-27-25)21-13-7-8-14-24(21)31-19-9-3-1-4-10-19;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28(26,27)18-6-4-3-5-7-18;1-26-19-10-6-5-9-16(19)14-11-17-18(21)13-23(20(17)22-12-14)27(24,25)15-7-3-2-4-8-15;20-13-6-7-15(17(21)9-13)12-8-16-18(22)11-24(19(16)23-10-12)27(25,26)14-4-2-1-3-5-14;20-17-9-5-4-8-15(17)13-10-16-18(21)12-23(19(16)22-11-13)26(24,25)14-6-2-1-3-7-14;20-18-13-22(25(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)14-7-3-1-4-8-14;2*18-15-11-20(24(21,22)13-5-2-1-3-6-13)17-14(15)9-12(10-19-17)16-7-4-8-23-16/h1-17H;3-14H,1-2H3;2-13H,1H3;1-11H;1-12H;1-13H;2*1-11H
• InChIKey: ZBNXJFDXIROREV-UHFFFAOYSA-N
• XLogP: 38.77
• TPSA: 437.38 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3913.59
LogP ≤ 5	38.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)?

The IUPAC name of 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine) (CID 162074664) is 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine).

What is the SMILES notation for 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)?

The canonical SMILES for 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine) is CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccccc1-c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccs3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)?

The InChIKey is ZBNXJFDXIROREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17IN2O3S.C21H18IN3O2S.C20H15IN2O3S.C19H11F2IN2O2S.C19H12FIN2O2S.C19H13IN2O2S.2C17H11IN2O2S2/c26-23-17-28(32(29,30)20-11-5-2-6-12-20)25-22(23)15-18(16-27-25)21-13-7-8-14-24(21)31-19-9-3-1-4-10-19;1-24(2)17-10-8-15(9-11-17)16-12-19-20(22)14-25(21(19)23-13-16)28(26,27)18-6-4-3-5-7-18;1-26-19-10-6-5-9-16(19)14-11-17-18(21)13-23(20(17)22-12-14)27(24,25)15-7-3-2-4-8-15;20-13-6-7-15(17(21)9-13)12-8-16-18(22)11-24(19(16)23-10-12)27(25,26)14-4-2-1-3-5-14;20-17-9-5-4-8-15(17)13-10-16-18(21)12-23(19(16)22-11-13)26(24,25)14-6-2-1-3-7-14;20-18-13-22(25(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)14-7-3-1-4-8-14;2*18-15-11-20(24(21,22)13-5-2-1-3-6-13)17-14(15)9-12(10-19-17)16-7-4-8-23-16/h1-17H;3-14H,1-2H3;2-13H,1H3;1-11H;1-12H;1-13H;2*1-11H.

What are the key properties of 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine)?

1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine) has a molecular weight of 3913.59 g/mol, XLogP of 38.77, 28 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-phenylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;bis(1-(benzenesulfonyl)-3-iodo-5-thiophen-2-ylpyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 162074664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).