N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid

C65H74Br2F5N9O16S5 — CID 123513771

About N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid

N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid (PubChem CID 123513771) has the molecular formula C65H74Br2F5N9O16S5 and a molecular weight of 1652.49 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid.

Molecular Properties

• Compound Name: N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid
• PubChem CID: 123513771
• Molecular Formula: C65H74Br2F5N9O16S5
• Molecular Weight: 1652.49 g/mol
• Exact Mass: 1649.21
• IUPAC Name: N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid
• SMILES: Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(C)=O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1.CCCS(=O)(=O)Nc1ccc(F)c(CO)c1
• InChI: InChI=1S/C17H17BrFN3O3S.C11H14FNO3S.C10H12FNO4S.C10H14FNO3S.C10H12FNO3S.C7H5BrN2/c1-2-5-26(24,25)22-11-3-4-15(19)13(7-11)16(23)14-9-21-17-12(14)6-10(18)8-20-17;1-3-6-17(15,16)13-9-4-5-11(12)10(7-9)8(2)14;1-2-5-17(15,16)12-7-3-4-9(11)8(6-7)10(13)14;2*1-2-5-16(14,15)12-9-3-4-10(11)8(6-9)7-13;8-6-3-5-1-2-9-7(5)10-4-6/h3-4,6-9,16,22-23H,2,5H2,1H3,(H,20,21);4-5,7,13H,3,6H2,1-2H3;3-4,6,12H,2,5H2,1H3,(H,13,14);3-4,6,12-13H,2,5,7H2,1H3;3-4,6-7,12H,2,5H2,1H3;1-4H,(H,9,10)
• InChIKey: CVUDTUHJIGTPIK-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 400.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1652.49
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid?

The IUPAC name of N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid (CID 123513771) is N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid.

What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid?

The canonical SMILES for N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid is Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(C)=O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1.CCCS(=O)(=O)Nc1ccc(F)c(CO)c1.

What is the InChIKey of N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid?

The InChIKey is CVUDTUHJIGTPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3S.C11H14FNO3S.C10H12FNO4S.C10H14FNO3S.C10H12FNO3S.C7H5BrN2/c1-2-5-26(24,25)22-11-3-4-15(19)13(7-11)16(23)14-9-21-17-12(14)6-10(18)8-20-17;1-3-6-17(15,16)13-9-4-5-11(12)10(7-9)8(2)14;1-2-5-17(15,16)12-7-3-4-9(11)8(6-7)10(13)14;2*1-2-5-16(14,15)12-9-3-4-10(11)8(6-9)7-13;8-6-3-5-1-2-9-7(5)10-4-6/h3-4,6-9,16,22-23H,2,5H2,1H3,(H,20,21);4-5,7,13H,3,6H2,1-2H3;3-4,6,12H,2,5H2,1H3,(H,13,14);3-4,6,12-13H,2,5,7H2,1H3;3-4,6-7,12H,2,5H2,1H3;1-4H,(H,9,10).

What are the key properties of N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid?

N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid has a molecular weight of 1652.49 g/mol, XLogP of 13.14, 26 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid is sourced from PubChem (CID 123513771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).