1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

C121H104BBr2ClI2N21O13S4+ — CID 158177892

About 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 158177892) has the molecular formula C121H104BBr2ClI2N21O13S4+ and a molecular weight of 2648.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 158177892
• Molecular Formula: C121H104BBr2ClI2N21O13S4+
• Molecular Weight: 2648.45 g/mol
• Exact Mass: 2644.32
• IUPAC Name: 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
• SMILES: Brc1cnc2[nH]ccc2c1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(-c3ccccc3)cc2c1.Cc1cnc2[nH]c(I)cc2c1.Cc1cnc2c(c1)cc(I)n2S(=O)(=O)c1ccccc1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1.Nc1cnc2[nH]c(-c3ccccc3)cc2c1.O=S(=O)(Cl)C1=CC=C[C+]=C1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.OB(O)c1ccccc1
• InChI: InChI=1S/C20H18N4O.C14H11IN2O2S.C14H12N2O2S.C14H12N2.C13H9BrN2O2S.C13H11N3.C8H7IN2.C7H5BrN2.C6H7BO2.C6H4ClO2S.C6H8N2O2/c1-12-13(2)23-24-19(12)18(25)9-14-8-16-10-17(22-20(16)21-11-14)15-6-4-3-5-7-15;1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12;1-11-9-12-7-8-16(14(12)15-10-11)19(17,18)13-5-3-2-4-6-13;1-10-7-12-8-13(16-14(12)15-9-10)11-5-3-2-4-6-11;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9;1-5-2-6-3-7(9)11-8(6)10-4-5;8-6-3-5-1-2-9-7(5)10-4-6;8-7(9)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;1-3-4(2)7-8-5(3)6(9)10/h3-8,10-11H,9H2,1-2H3,(H,21,22)(H,23,24);2-9H,1H3;2-10H,1H3;2-9H,1H3,(H,15,16);1-9H;1-8H,14H2,(H,15,16);2-4H,1H3,(H,10,11);1-4H,(H,9,10);1-5,8-9H;1-2,4-5H;1-2H3,(H,7,8)(H,9,10)/q;;;;;;;;;+1
• InChIKey: FYFJZEYCFVNIEX-UHFFFAOYSA-N
• XLogP: 25.41
• TPSA: 511.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.45
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 158177892) is 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is Brc1cnc2[nH]ccc2c1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(-c3ccccc3)cc2c1.Cc1cnc2[nH]c(I)cc2c1.Cc1cnc2c(c1)cc(I)n2S(=O)(=O)c1ccccc1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1.Nc1cnc2[nH]c(-c3ccccc3)cc2c1.O=S(=O)(Cl)C1=CC=C[C+]=C1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.OB(O)c1ccccc1.

What is the InChIKey of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is FYFJZEYCFVNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C14H11IN2O2S.C14H12N2O2S.C14H12N2.C13H9BrN2O2S.C13H11N3.C8H7IN2.C7H5BrN2.C6H7BO2.C6H4ClO2S.C6H8N2O2/c1-12-13(2)23-24-19(12)18(25)9-14-8-16-10-17(22-20(16)21-11-14)15-6-4-3-5-7-15;1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12;1-11-9-12-7-8-16(14(12)15-10-11)19(17,18)13-5-3-2-4-6-13;1-10-7-12-8-13(16-14(12)15-9-10)11-5-3-2-4-6-11;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9;1-5-2-6-3-7(9)11-8(6)10-4-5;8-6-3-5-1-2-9-7(5)10-4-6;8-7(9)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;1-3-4(2)7-8-5(3)6(9)10/h3-8,10-11H,9H2,1-2H3,(H,21,22)(H,23,24);2-9H,1H3;2-10H,1H3;2-9H,1H3,(H,15,16);1-9H;1-8H,14H2,(H,15,16);2-4H,1H3,(H,10,11);1-4H,(H,9,10);1-5,8-9H;1-2,4-5H;1-2H3,(H,7,8)(H,9,10)/q;;;;;;;;;+1;.

What are the key properties of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 2648.45 g/mol, XLogP of 25.41, 15 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-iodo-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexatrienesulfonyl chloride;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 158177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).