5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide

C23H18ClFN6O3S — CID 166048215

About 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 166048215) has the molecular formula C23H18ClFN6O3S and a molecular weight of 512.95 g/mol. Its IUPAC name is 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 166048215
• Molecular Formula: C23H18ClFN6O3S
• Molecular Weight: 512.95 g/mol
• Exact Mass: 512.08
• IUPAC Name: 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C
• InChI: InChI=1S/C23H18ClFN6O3S/c1-12-14(15-6-7-16-20(19(15)25)29-30-21(16)22-26-8-9-27-22)4-3-5-17(12)31-35(32,33)18-10-13(24)11-28-23(18)34-2/h3-11,31H,1-2H3,(H,26,27)(H,29,30)
• InChIKey: XFLJCDXYUZCYLL-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 125.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.95
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide?

The IUPAC name of 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide (CID 166048215) is 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C.

What is the InChIKey of 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide?

The InChIKey is XFLJCDXYUZCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O3S/c1-12-14(15-6-7-16-20(19(15)25)29-30-21(16)22-26-8-9-27-22)4-3-5-17(12)31-35(32,33)18-10-13(24)11-28-23(18)34-2/h3-11,31H,1-2H3,(H,26,27)(H,29,30).

What are the key properties of 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide?

5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 512.95 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 166048215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).