N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride

C69H65Br2ClF12N10O14S4 — CID 158018167

About N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride

N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride (PubChem CID 158018167) has the molecular formula C69H65Br2ClF12N10O14S4 and a molecular weight of 1809.84 g/mol. Its IUPAC name is N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride.

Molecular Properties

• Compound Name: N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
• PubChem CID: 158018167
• Molecular Formula: C69H65Br2ClF12N10O14S4
• Molecular Weight: 1809.84 g/mol
• Exact Mass: 1806.14
• IUPAC Name: N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
• SMILES: Brc1cnc2[nH]ccc2c1.CC(=O)c1c(F)ccc(N)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(C)=O)c1F.Nc1ccc(F)cc1F
• InChI: InChI=1S/C17H14BrF2N3O3S.C11H13F2NO3S.C10H10ClF2NO3S.C10H11F2NO4S.C8H7F2NO.C7H5BrN2.C6H5F2N/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17;1-3-6-18(16,17)14-9-5-4-8(12)10(7(2)15)11(9)13;1-2-5-18(16,17)14-7-4-3-6(12)8(9(7)13)10(11)15;1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15;1-4(12)7-5(9)2-3-6(11)8(7)10;8-6-3-5-1-2-9-7(5)10-4-6;7-4-1-2-6(9)5(8)3-4/h3-4,6-8,23H,2,5H2,1H3,(H,21,22);4-5,14H,3,6H2,1-2H3;3-4,14H,2,5H2,1H3;3-4,13H,2,5H2,1H3,(H,14,15);2-3H,11H2,1H3;1-4H,(H,9,10);1-3H,9H2
• InChIKey: FFSRQQHWOURVGD-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 399.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.84
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?

The IUPAC name of N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride (CID 158018167) is N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride.

What is the SMILES notation for N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?

The canonical SMILES for N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride is Brc1cnc2[nH]ccc2c1.CC(=O)c1c(F)ccc(N)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(C)=O)c1F.Nc1ccc(F)cc1F.

What is the InChIKey of N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?

The InChIKey is FFSRQQHWOURVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N3O3S.C11H13F2NO3S.C10H10ClF2NO3S.C10H11F2NO4S.C8H7F2NO.C7H5BrN2.C6H5F2N/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17;1-3-6-18(16,17)14-9-5-4-8(12)10(7(2)15)11(9)13;1-2-5-18(16,17)14-7-4-3-6(12)8(9(7)13)10(11)15;1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15;1-4(12)7-5(9)2-3-6(11)8(7)10;8-6-3-5-1-2-9-7(5)10-4-6;7-4-1-2-6(9)5(8)3-4/h3-4,6-8,23H,2,5H2,1H3,(H,21,22);4-5,14H,3,6H2,1-2H3;3-4,14H,2,5H2,1H3;3-4,13H,2,5H2,1H3,(H,14,15);2-3H,11H2,1H3;1-4H,(H,9,10);1-3H,9H2.

What are the key properties of N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride?

N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride has a molecular weight of 1809.84 g/mol, XLogP of 16.24, 22 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-2,4-difluorophenyl)propane-1-sulfonamide;1-(3-amino-2,6-difluorophenyl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;2,4-difluoroaniline;2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride is sourced from PubChem (CID 158018167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).