1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C107H118BBr3N16O16S5 — CID 161261291

About 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 161261291) has the molecular formula C107H118BBr3N16O16S5 and a molecular weight of 2295.08 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 161261291
• Molecular Formula: C107H118BBr3N16O16S5
• Molecular Weight: 2295.08 g/mol
• Exact Mass: 2290.52
• IUPAC Name: 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: C.C.C.C.C.C1CCOC1.CC(=O)Nc1cc(-c2cncc3c2cc(C)n3S(=O)(=O)c2ccccc2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCc1cc2c(-c3ccnc(NC(C)=O)c3)cncc2n1S(=O)(=O)c1ccccc1.CCc1cc2c(Br)cncc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)cncc2n1S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2c(Br)cncc21
• InChI: InChI=1S/C22H20N4O3S.C21H18N4O3S.C15H13BrN2O2S.C14H11BrN2O2S.C13H19BN2O3.C13H9BrN2O2S.C4H8O.5CH4/c1-3-17-12-19-20(16-9-10-24-22(11-16)25-15(2)27)13-23-14-21(19)26(17)30(28,29)18-7-5-4-6-8-18;1-14-10-18-19(16-8-9-23-21(11-16)24-15(2)26)12-22-13-20(18)25(14)29(27,28)17-6-4-3-5-7-17;1-2-11-8-13-14(16)9-17-10-15(13)18(11)21(19,20)12-6-4-3-5-7-12;1-10-7-12-13(15)8-16-9-14(12)17(10)20(18,19)11-5-3-2-4-6-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;14-12-8-15-9-13-11(12)6-7-16(13)19(17,18)10-4-2-1-3-5-10;1-2-4-5-3-1;;;;;/h4-14H,3H2,1-2H3,(H,24,25,27);3-13H,1-2H3,(H,23,24,26);3-10H,2H2,1H3;2-9H,1H3;6-8H,1-5H3,(H,15,16,17);1-9H;1-4H2;5*1H4
• InChIKey: VCOUHTXWYBDVBN-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 413.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.08
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 161261291) is 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is C.C.C.C.C.C1CCOC1.CC(=O)Nc1cc(-c2cncc3c2cc(C)n3S(=O)(=O)c2ccccc2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCc1cc2c(-c3ccnc(NC(C)=O)c3)cncc2n1S(=O)(=O)c1ccccc1.CCc1cc2c(Br)cncc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)cncc2n1S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2c(Br)cncc21.

What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is VCOUHTXWYBDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S.C21H18N4O3S.C15H13BrN2O2S.C14H11BrN2O2S.C13H19BN2O3.C13H9BrN2O2S.C4H8O.5CH4/c1-3-17-12-19-20(16-9-10-24-22(11-16)25-15(2)27)13-23-14-21(19)26(17)30(28,29)18-7-5-4-6-8-18;1-14-10-18-19(16-8-9-23-21(11-16)24-15(2)26)12-22-13-20(18)25(14)29(27,28)17-6-4-3-5-7-17;1-2-11-8-13-14(16)9-17-10-15(13)18(11)21(19,20)12-6-4-3-5-7-12;1-10-7-12-13(15)8-16-9-14(12)17(10)20(18,19)11-5-3-2-4-6-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;14-12-8-15-9-13-11(12)6-7-16(13)19(17,18)10-4-2-1-3-5-10;1-2-4-5-3-1;;;;;/h4-14H,3H2,1-2H3,(H,24,25,27);3-13H,1-2H3,(H,23,24,26);3-10H,2H2,1H3;2-9H,1H3;6-8H,1-5H3,(H,15,16,17);1-9H;1-4H2;5*1H4.

What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 2295.08 g/mol, XLogP of 22.75, 18 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-bromo-2-ethylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-c]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-c]pyridine;N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methane;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 161261291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).