1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine

C69H77BBr3ClN10O14S6 — CID 158614358

About 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine

1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine (PubChem CID 158614358) has the molecular formula C69H77BBr3ClN10O14S6 and a molecular weight of 1748.81 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine
• PubChem CID: 158614358
• Molecular Formula: C69H77BBr3ClN10O14S6
• Molecular Weight: 1748.81 g/mol
• Exact Mass: 1744.13
• IUPAC Name: 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine
• SMILES: C1CCNC1.CS(=O)(=O)c1ccc(Br)cc1.Cc1cc2c(-c3ccc(S(C)(=O)=O)cn3)ccnc2[nH]1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.NC1CCS(=O)(=O)CC1.O=S(=O)(Cl)c1ccc(Br)cn1
• InChI: InChI=1S/C20H23BN2O4S.C14H11BrN2O2S.C14H13N3O2S.C7H7BrO2S.C5H3BrClNO2S.C5H11NO2S.C4H9N/c1-14-13-16-17(21-26-19(2,3)20(4,5)27-21)11-12-22-18(16)23(14)28(24,25)15-9-7-6-8-10-15;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;1-9-7-12-11(5-6-15-14(12)17-9)13-4-3-10(8-16-13)20(2,18)19;1-11(9,10)7-4-2-6(8)3-5-7;6-4-1-2-5(8-3-4)11(7,9)10;6-5-1-3-9(7,8)4-2-5;1-2-4-5-3-1/h6-13H,1-5H3;2-9H,1H3;3-8H,1-2H3,(H,15,17);2-5H,1H3;1-3H;5H,1-4,6H2;5H,1-4H2
• InChIKey: HXFCHWOXDIAEDO-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 351.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.81
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine?

The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine (CID 158614358) is 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine.

What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine?

The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine is C1CCNC1.CS(=O)(=O)c1ccc(Br)cc1.Cc1cc2c(-c3ccc(S(C)(=O)=O)cn3)ccnc2[nH]1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.NC1CCS(=O)(=O)CC1.O=S(=O)(Cl)c1ccc(Br)cn1.

What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine?

The InChIKey is HXFCHWOXDIAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O4S.C14H11BrN2O2S.C14H13N3O2S.C7H7BrO2S.C5H3BrClNO2S.C5H11NO2S.C4H9N/c1-14-13-16-17(21-26-19(2,3)20(4,5)27-21)11-12-22-18(16)23(14)28(24,25)15-9-7-6-8-10-15;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;1-9-7-12-11(5-6-15-14(12)17-9)13-4-3-10(8-16-13)20(2,18)19;1-11(9,10)7-4-2-6(8)3-5-7;6-4-1-2-5(8-3-4)11(7,9)10;6-5-1-3-9(7,8)4-2-5;1-2-4-5-3-1/h6-13H,1-5H3;2-9H,1H3;3-8H,1-2H3,(H,15,17);2-5H,1H3;1-3H;5H,1-4,6H2;5H,1-4H2.

What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine?

1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine has a molecular weight of 1748.81 g/mol, XLogP of 12.08, 9 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine is sourced from PubChem (CID 158614358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).