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

C75H77Cl3F5N9O19S3 — CID 157177953

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride (PubChem CID 157177953) 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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride
• PubChem CID: 157177953
• 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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride
• SMILES: C.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.COC(=O)c1cc(N)ccc1F.COC(=O)c1cc([N+](=O)[O-])ccc1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(O)c1cc([N+](=O)[O-])ccc1F
• InChI: InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H12FNO4S.C8H6FNO4.C8H8FNO2.C7H4FNO4.C3H7ClO2S.3CH4/c1-2-9-32(30,31)28-17-7-8-21(25)19(11-17)22(29)20-13-27-23-18(20)10-15(12-26-23)14-3-5-16(24)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-5-17(15,16)12-7-3-4-9(11)8(6-7)10(13)14;1-14-8(11)6-4-5(10(12)13)2-3-7(6)9;1-12-8(11)6-4-5(10)2-3-7(6)9;8-6-2-1-4(9(12)13)3-5(6)7(10)11;1-2-3-7(4,5)6;;;/h3-8,10-13,28H,2,9H2,1H3,(H,26,27);1-8H,(H,15,16);3-4,6,12H,2,5H2,1H3,(H,13,14);2-4H,1H3;2-4H,10H2,1H3;1-3H,(H,10,11);2-3H2,1H3;3*1H4
• InChIKey: AOFUZGISQCZVDP-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride (CID 157177953) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride is C.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.COC(=O)c1cc(N)ccc1F.COC(=O)c1cc([N+](=O)[O-])ccc1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(O)c1cc([N+](=O)[O-])ccc1F.

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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride?

The InChIKey is AOFUZGISQCZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S.C13H9ClN2.C10H12FNO4S.C8H6FNO4.C8H8FNO2.C7H4FNO4.C3H7ClO2S.3CH4/c1-2-9-32(30,31)28-17-7-8-21(25)19(11-17)22(29)20-13-27-23-18(20)10-15(12-26-23)14-3-5-16(24)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-5-17(15,16)12-7-3-4-9(11)8(6-7)10(13)14;1-14-8(11)6-4-5(10(12)13)2-3-7(6)9;1-12-8(11)6-4-5(10)2-3-7(6)9;8-6-2-1-4(9(12)13)3-5(6)7(10)11;1-2-3-7(4,5)6;;;/h3-8,10-13,28H,2,9H2,1H3,(H,26,27);1-8H,(H,15,16);3-4,6,12H,2,5H2,1H3,(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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-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]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride is sourced from PubChem (CID 157177953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).