1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline

C121H95I6N15O16S5 — CID 159529691

About 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline

1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline (PubChem CID 159529691) has the molecular formula C121H95I6N15O16S5 and a molecular weight of 2936.94 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline
• PubChem CID: 159529691
• Molecular Formula: C121H95I6N15O16S5
• Molecular Weight: 2936.94 g/mol
• Exact Mass: 2935.00
• IUPAC Name: 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline
• SMILES: CCOC(=O)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1OC.N#Cc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(N4CCOCC4)cc3)cnc21
• InChI: InChI=1S/C23H20IN3O3S.C22H17IN2O4S.C21H17IN2O4S.C20H12IN3O2S.C20H15IN2O3S.C15H14IN3/c24-22-16-27(31(28,29)20-4-2-1-3-5-20)23-21(22)14-18(15-25-23)17-6-8-19(9-7-17)26-10-12-30-13-11-26;1-2-29-22(26)16-10-8-15(9-11-16)17-12-19-20(23)14-25(21(19)24-13-17)30(27,28)18-6-4-3-5-7-18;1-27-19-9-8-14(11-20(19)28-2)15-10-17-18(22)13-24(21(17)23-12-15)29(25,26)16-6-4-3-5-7-16;21-19-13-24(27(25,26)17-4-2-1-3-5-17)20-18(19)10-16(12-23-20)15-8-6-14(11-22)7-9-15;1-26-16-9-7-14(8-10-16)15-11-18-19(21)13-23(20(18)22-12-15)27(24,25)17-5-3-2-4-6-17;1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11/h1-9,14-16H,10-13H2;3-14H,2H2,1H3;3-13H,1-2H3;1-10,12-13H;2-13H,1H3;3-9H,1-2H3,(H,17,18)
• InChIKey: MCVIHQULMZOGRF-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 381.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2936.94
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline?

The IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline (CID 159529691) is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline.

What is the SMILES notation for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline?

The canonical SMILES for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline is CCOC(=O)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1OC.N#Cc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(N4CCOCC4)cc3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline?

The InChIKey is MCVIHQULMZOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O3S.C22H17IN2O4S.C21H17IN2O4S.C20H12IN3O2S.C20H15IN2O3S.C15H14IN3/c24-22-16-27(31(28,29)20-4-2-1-3-5-20)23-21(22)14-18(15-25-23)17-6-8-19(9-7-17)26-10-12-30-13-11-26;1-2-29-22(26)16-10-8-15(9-11-16)17-12-19-20(23)14-25(21(19)24-13-17)30(27,28)18-6-4-3-5-7-18;1-27-19-9-8-14(11-20(19)28-2)15-10-17-18(22)13-24(21(17)23-12-15)29(25,26)16-6-4-3-5-7-16;21-19-13-24(27(25,26)17-4-2-1-3-5-17)20-18(19)10-16(12-23-20)15-8-6-14(11-22)7-9-15;1-26-16-9-7-14(8-10-16)15-11-18-19(21)13-23(20(18)22-12-15)27(24,25)17-5-3-2-4-6-17;1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11/h1-9,14-16H,10-13H2;3-14H,2H2,1H3;3-13H,1-2H3;1-10,12-13H;2-13H,1H3;3-9H,1-2H3,(H,17,18).

What are the key properties of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline?

1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline has a molecular weight of 2936.94 g/mol, XLogP of 26.54, 23 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline is sourced from PubChem (CID 159529691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).