5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid

C61H63Br3F4N10O13S4 — CID 159680154

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid (PubChem CID 159680154) has the molecular formula C61H63Br3F4N10O13S4 and a molecular weight of 1588.20 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid
• PubChem CID: 159680154
• Molecular Formula: C61H63Br3F4N10O13S4
• Molecular Weight: 1588.20 g/mol
• Exact Mass: 1584.09
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid
• SMILES: Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1cccc(C(=O)O)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F
• InChI: InChI=1S/C17H17BrFN3O3S.C17H15BrFN3O3S.C10H12FNO4S.C10H14FNO3S.C7H5BrN2/c2*1-2-6-26(24,25)22-14-5-3-4-11(15(14)19)16(23)13-9-21-17-12(13)7-10(18)8-20-17;1-2-6-17(15,16)12-8-5-3-4-7(9(8)11)10(13)14;1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h3-5,7-9,16,22-23H,2,6H2,1H3,(H,20,21);3-5,7-9,22H,2,6H2,1H3,(H,20,21);3-5,12H,2,6H2,1H3,(H,13,14);3-5,12-13H,2,6-7H2,1H3;1-4H,(H,9,10)
• InChIKey: MVCKTQKWLXHVMN-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 365.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1588.20
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid (CID 159680154) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid is Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1cccc(C(=O)O)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid?

The InChIKey is MVCKTQKWLXHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3S.C17H15BrFN3O3S.C10H12FNO4S.C10H14FNO3S.C7H5BrN2/c2*1-2-6-26(24,25)22-14-5-3-4-11(15(14)19)16(23)13-9-21-17-12(13)7-10(18)8-20-17;1-2-6-17(15,16)12-8-5-3-4-7(9(8)11)10(13)14;1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h3-5,7-9,16,22-23H,2,6H2,1H3,(H,20,21);3-5,7-9,22H,2,6H2,1H3,(H,20,21);3-5,12H,2,6H2,1H3,(H,13,14);3-5,12-13H,2,6-7H2,1H3;1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid?

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid has a molecular weight of 1588.20 g/mol, XLogP of 13.02, 22 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid is sourced from PubChem (CID 159680154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).