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

C22H15ClF2N6O3S — CID 155206667

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

5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 155206667) has the molecular formula C22H15ClF2N6O3S and a molecular weight of 516.92 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 155206667
• Molecular Formula: C22H15ClF2N6O3S
• Molecular Weight: 516.92 g/mol
• Exact Mass: 516.06
• IUPAC Name: 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C22H15ClF2N6O3S/c1-34-22-16(9-11(23)10-28-22)35(32,33)31-15-4-2-3-12(17(15)24)13-5-6-14-19(18(13)25)29-30-20(14)21-26-7-8-27-21/h2-10,31H,1H3,(H,26,27)(H,29,30)
• InChIKey: RIUQEVWBIZSRNO-UHFFFAOYSA-N
• XLogP: 4.76
• 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	516.92
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 155206667) is 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

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

The canonical SMILES for 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.

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

The InChIKey is RIUQEVWBIZSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N6O3S/c1-34-22-16(9-11(23)10-28-22)35(32,33)31-15-4-2-3-12(17(15)24)13-5-6-14-19(18(13)25)29-30-20(14)21-26-7-8-27-21/h2-10,31H,1H3,(H,26,27)(H,29,30).

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

5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 516.92 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 155206667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).