5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride

C65H55Cl5F4N8O16S3 — CID 167546399

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride (PubChem CID 167546399) has the molecular formula C65H55Cl5F4N8O16S3 and a molecular weight of 1553.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride
• PubChem CID: 167546399
• Molecular Formula: C65H55Cl5F4N8O16S3
• Molecular Weight: 1553.65 g/mol
• Exact Mass: 1550.13
• IUPAC Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride
• SMILES: CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Cl)c1.CCCS(=O)(=O)Nc1cc(F)cc(C(=O)O)c1.CCCS(=O)(=O)Nc1cc(F)cc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(Cl)C(=O)Cl.O=C(O)c1cc(F)cc([N+](=O)[O-])c1
• InChI: InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H11ClFNO3S.C10H12FNO4S.C7H4FNO4.C2Cl2O2/c1-2-7-32(30,31)28-19-9-15(8-18(25)11-19)22(29)21-13-27-23-20(21)10-16(12-26-23)14-3-5-17(24)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-3-17(15,16)13-9-5-7(10(11)14)4-8(12)6-9;1-2-3-17(15,16)12-9-5-7(10(13)14)4-8(11)6-9;8-5-1-4(7(10)11)2-6(3-5)9(12)13;3-1(5)2(4)6/h3-6,8-13,28H,2,7H2,1H3,(H,26,27);1-8H,(H,15,16);4-6,13H,2-3H2,1H3;4-6,12H,2-3H2,1H3,(H,13,14);1-3H,(H,10,11)
• InChIKey: BVQOPMRJKQRFSQ-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 381.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.65
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride?

The IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride (CID 167546399) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride.

What is the SMILES notation for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride?

The canonical SMILES for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride is CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Cl)c1.CCCS(=O)(=O)Nc1cc(F)cc(C(=O)O)c1.CCCS(=O)(=O)Nc1cc(F)cc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(Cl)C(=O)Cl.O=C(O)c1cc(F)cc([N+](=O)[O-])c1.

What is the InChIKey of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride?

The InChIKey is BVQOPMRJKQRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H11ClFNO3S.C10H12FNO4S.C7H4FNO4.C2Cl2O2/c1-2-7-32(30,31)28-19-9-15(8-18(25)11-19)22(29)21-13-27-23-20(21)10-16(12-26-23)14-3-5-17(24)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-3-17(15,16)13-9-5-7(10(11)14)4-8(12)6-9;1-2-3-17(15,16)12-9-5-7(10(13)14)4-8(11)6-9;8-5-1-4(7(10)11)2-6(3-5)9(12)13;3-1(5)2(4)6/h3-6,8-13,28H,2,7H2,1H3,(H,26,27);1-8H,(H,15,16);4-6,13H,2-3H2,1H3;4-6,12H,2-3H2,1H3,(H,13,14);1-3H,(H,10,11);.

What are the key properties of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride?

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride has a molecular weight of 1553.65 g/mol, XLogP of 15.27, 21 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-fluorophenyl]propane-1-sulfonamide;3-fluoro-5-nitrobenzoic acid;3-fluoro-5-(propylsulfonylamino)benzoic acid;3-fluoro-5-(propylsulfonylamino)benzoyl chloride;oxalyl dichloride is sourced from PubChem (CID 167546399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).