5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride

C75H77Cl3F5N9O19S3 — CID 158093254

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride (PubChem CID 158093254) has the molecular formula C75H77Cl3F5N9O19S3 and a molecular weight of 1706.03 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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride.

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride
• PubChem CID: 158093254
• Molecular Formula: C75H77Cl3F5N9O19S3
• Molecular Weight: 1706.03 g/mol
• Exact Mass: 1703.35
• IUPAC Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride
• SMILES: C.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1cccc(C(=O)O)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.COC(=O)c1cccc(N)c1F.COC(=O)c1cccc([N+](=O)[O-])c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(O)c1cccc([N+](=O)[O-])c1F
• InChI: InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H12FNO4S.C8H6FNO4.C8H8FNO2.C7H4FNO4.C3H7ClO2S.3CH4/c1-2-10-32(30,31)28-20-5-3-4-17(21(20)25)22(29)19-13-27-23-18(19)11-15(12-26-23)14-6-8-16(24)9-7-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-6-17(15,16)12-8-5-3-4-7(9(8)11)10(13)14;1-14-8(11)5-3-2-4-6(7(5)9)10(12)13;1-12-8(11)5-3-2-4-6(10)7(5)9;8-6-4(7(10)11)2-1-3-5(6)9(12)13;1-2-3-7(4,5)6;;;/h3-9,11-13,28H,2,10H2,1H3,(H,26,27);1-8H,(H,15,16);3-5,12H,2,6H2,1H3,(H,13,14);2-4H,1H3;2-4H,10H2,1H3;1-3H,(H,10,11);2-3H2,1H3;3*1H4
• InChIKey: FOIZFXXPLWXYGH-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 440.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1706.03
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride?

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride (CID 158093254) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride.

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride?

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride is C.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1cccc(C(=O)O)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.COC(=O)c1cccc(N)c1F.COC(=O)c1cccc([N+](=O)[O-])c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(O)c1cccc([N+](=O)[O-])c1F.

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride?

The InChIKey is FOIZFXXPLWXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H12FNO4S.C8H6FNO4.C8H8FNO2.C7H4FNO4.C3H7ClO2S.3CH4/c1-2-10-32(30,31)28-20-5-3-4-17(21(20)25)22(29)19-13-27-23-18(19)11-15(12-26-23)14-6-8-16(24)9-7-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-6-17(15,16)12-8-5-3-4-7(9(8)11)10(13)14;1-14-8(11)5-3-2-4-6(7(5)9)10(12)13;1-12-8(11)5-3-2-4-6(10)7(5)9;8-6-4(7(10)11)2-1-3-5(6)9(12)13;1-2-3-7(4,5)6;;;/h3-9,11-13,28H,2,10H2,1H3,(H,26,27);1-8H,(H,15,16);3-5,12H,2,6H2,1H3,(H,13,14);2-4H,1H3;2-4H,10H2,1H3;1-3H,(H,10,11);2-3H2,1H3;3*1H4.

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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride?

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride has a molecular weight of 1706.03 g/mol, XLogP of 17.98, 20 rotatable bonds, 7 hydrogen bond donors, and 20 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]-2-fluorophenyl]propane-1-sulfonamide;2-fluoro-3-nitrobenzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;methane;methyl 3-amino-2-fluorobenzoate;methyl 2-fluoro-3-nitrobenzoate;propane-1-sulfonyl chloride is sourced from PubChem (CID 158093254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).