1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C86H63N13O10S8 — CID 161300103

About 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 161300103) has the molecular formula C86H63N13O10S8 and a molecular weight of 1695.07 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
• PubChem CID: 161300103
• Molecular Formula: C86H63N13O10S8
• Molecular Weight: 1695.07 g/mol
• Exact Mass: 1693.26
• IUPAC Name: 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
• SMILES: CN(C)c1ccc(-c2cnc3c(c2)c(-c2cncs2)cn3S(=O)(=O)c2ccccc2)cc1.Cn1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21
• InChI: InChI=1S/C24H20N4O2S2.C22H17N3O3S.C20H13N3O3S2.C20H13N3O2S3/c1-27(2)19-10-8-17(9-11-19)18-12-21-22(23-14-25-16-31-23)15-28(24(21)26-13-18)32(29,30)20-6-4-3-5-7-20;1-24-9-7-16(13-24)18-11-20-21(17-8-10-28-15-17)14-25(22(20)23-12-18)29(26,27)19-5-3-2-4-6-19;24-28(25,15-5-2-1-3-6-15)23-13-17(20-21-8-9-26-20)16-11-14(12-22-19(16)23)18-7-4-10-27-18;24-28(25,15-5-2-1-3-6-15)23-12-17(19-11-21-13-27-19)16-9-14(10-22-20(16)23)18-7-4-8-26-18/h3-16H,1-2H3;2-15H,1H3;2*1-13H
• InChIKey: VHMLLWFAYJIYTM-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 280.96 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.07
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 161300103) is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

What is the SMILES notation for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The canonical SMILES for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is CN(C)c1ccc(-c2cnc3c(c2)c(-c2cncs2)cn3S(=O)(=O)c2ccccc2)cc1.Cn1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The InChIKey is VHMLLWFAYJIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2.C22H17N3O3S.C20H13N3O3S2.C20H13N3O2S3/c1-27(2)19-10-8-17(9-11-19)18-12-21-22(23-14-25-16-31-23)15-28(24(21)26-13-18)32(29,30)20-6-4-3-5-7-20;1-24-9-7-16(13-24)18-11-20-21(17-8-10-28-15-17)14-25(22(20)23-12-18)29(26,27)19-5-3-2-4-6-19;24-28(25,15-5-2-1-3-6-15)23-13-17(20-21-8-9-26-20)16-11-14(12-22-19(16)23)18-7-4-10-27-18;24-28(25,15-5-2-1-3-6-15)23-12-17(19-11-21-13-27-19)16-9-14(10-22-20(16)23)18-7-4-8-26-18/h3-16H,1-2H3;2-15H,1H3;2*1-13H.

What are the key properties of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 1695.07 g/mol, XLogP of 19.45, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 161300103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).