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

C92H74BrN11O11S5 — CID 157099725

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

1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 157099725) has the molecular formula C92H74BrN11O11S5 and a molecular weight of 1749.91 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 157099725
• Molecular Formula: C92H74BrN11O11S5
• Molecular Weight: 1749.91 g/mol
• Exact Mass: 1747.34
• IUPAC Name: 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccco2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccsc2)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(Br)cnc21
• InChI: InChI=1S/2C25H21N3O3S.C25H21N3O2S2.C17H11BrN2O3S/c1-27(2)20-12-10-18(11-13-20)19-15-22-23(24-9-6-14-31-24)17-28(25(22)26-16-19)32(29,30)21-7-4-3-5-8-21;2*1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-31-17-19)16-28(25(23)26-15-20)32(29,30)22-6-4-3-5-7-22;18-13-8-15-16(12-6-7-23-11-12)10-20(17(15)19-9-13)24(21,22)14-4-2-1-3-5-14/h3*3-17H,1-2H3;1-11H
• InChIKey: AFPXEPPMHCHWTN-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 256.98 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.91
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 157099725) is 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

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

The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccco2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccsc2)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(Br)cnc21.

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

The InChIKey is AFPXEPPMHCHWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21N3O3S.C25H21N3O2S2.C17H11BrN2O3S/c1-27(2)20-12-10-18(11-13-20)19-15-22-23(24-9-6-14-31-24)17-28(25(22)26-16-19)32(29,30)21-7-4-3-5-8-21;2*1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-31-17-19)16-28(25(23)26-15-20)32(29,30)22-6-4-3-5-7-22;18-13-8-15-16(12-6-7-23-11-12)10-20(17(15)19-9-13)24(21,22)14-4-2-1-3-5-14/h3*3-17H,1-2H3;1-11H.

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

1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 1749.91 g/mol, XLogP of 20.56, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 157099725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).