2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

C106H109BBr5ClN14O21S13 — CID 159172309

About 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159172309) has the molecular formula C106H109BBr5ClN14O21S13 and a molecular weight of 2777.77 g/mol. Its IUPAC name is 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159172309
• Molecular Formula: C106H109BBr5ClN14O21S13
• Molecular Weight: 2777.77 g/mol
• Exact Mass: 2770.00
• IUPAC Name: 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1ccnc2[nH]ccc12.CC(C)(C)NC1CCS(=O)(=O)CC1.CS(=O)(=O)c1ccc(Br)s1.Cc1cc2c(-c3ccc(S(C)(=O)=O)s3)ccnc2[nH]1.Cc1cc2c(-c3ccc(S(C)(=O)=O)s3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.NCCO.O=S(=O)(Cl)c1ccc(Br)s1.O=S(=O)(c1ccccc1)n1ccc2c(Br)ccnc21
• InChI: InChI=1S/C20H23BN2O4S.C19H16N2O4S3.C14H11BrN2O2S.C13H9BrN2O2S.C13H12N2O2S2.C9H19NO2S.C7H5BrN2.C5H5BrO2S2.C4H2BrClO2S2.C2H7NO/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;1-13-12-16-15(17-8-9-18(26-17)27(2,22)23)10-11-20-19(16)21(13)28(24,25)14-6-4-3-5-7-14;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-8-7-10-9(5-6-14-13(10)15-8)11-3-4-12(18-11)19(2,16)17;1-9(2,3)10-8-4-6-13(11,12)7-5-8;8-6-2-4-10-7-5(6)1-3-9-7;1-10(7,8)5-3-2-4(6)9-5;5-3-1-2-4(9-3)10(6,7)8;3-1-2-4/h6-13H,1-5H3;3-12H,1-2H3;2-9H,1H3;1-9H;3-7H,1-2H3,(H,14,15);8,10H,4-7H2,1-3H3;1-4H,(H,9,10);2-3H,1H3;1-2H;4H,1-3H2
• InChIKey: KLVPIFJXHMDZNU-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 512.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2777.77
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159172309) is 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1ccnc2[nH]ccc12.CC(C)(C)NC1CCS(=O)(=O)CC1.CS(=O)(=O)c1ccc(Br)s1.Cc1cc2c(-c3ccc(S(C)(=O)=O)s3)ccnc2[nH]1.Cc1cc2c(-c3ccc(S(C)(=O)=O)s3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.NCCO.O=S(=O)(Cl)c1ccc(Br)s1.O=S(=O)(c1ccccc1)n1ccc2c(Br)ccnc21.

What is the InChIKey of 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KLVPIFJXHMDZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O4S.C19H16N2O4S3.C14H11BrN2O2S.C13H9BrN2O2S.C13H12N2O2S2.C9H19NO2S.C7H5BrN2.C5H5BrO2S2.C4H2BrClO2S2.C2H7NO/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;1-13-12-16-15(17-8-9-18(26-17)27(2,22)23)10-11-20-19(16)21(13)28(24,25)14-6-4-3-5-7-14;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-8-7-10-9(5-6-14-13(10)15-8)11-3-4-12(18-11)19(2,16)17;1-9(2,3)10-8-4-6-13(11,12)7-5-8;8-6-2-4-10-7-5(6)1-3-9-7;1-10(7,8)5-3-2-4(6)9-5;5-3-1-2-4(9-3)10(6,7)8;3-1-2-4/h6-13H,1-5H3;3-12H,1-2H3;2-9H,1H3;1-9H;3-7H,1-2H3,(H,14,15);8,10H,4-7H2,1-3H3;1-4H,(H,9,10);2-3H,1H3;1-2H;4H,1-3H2.

What are the key properties of 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?

2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2777.77 g/mol, XLogP of 22.54, 17 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(5-methylsulfonylthiophen-2-yl)pyrrolo[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;2-bromo-5-methylsulfonylthiophene;4-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromothiophene-2-sulfonyl chloride;N-tert-butyl-1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159172309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).