2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide

C21H12ClF3N6O2S — CID 166048138

About 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide

2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 166048138) has the molecular formula C21H12ClF3N6O2S and a molecular weight of 504.88 g/mol. Its IUPAC name is 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide
• PubChem CID: 166048138
• Molecular Formula: C21H12ClF3N6O2S
• Molecular Weight: 504.88 g/mol
• Exact Mass: 504.04
• IUPAC Name: 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide
• SMILES: O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1cccnc1Cl
• InChI: InChI=1S/C21H12ClF3N6O2S/c22-20-14(2-1-7-26-20)34(32,33)31-13-6-5-12(23)15(17(13)25)10-3-4-11-18(16(10)24)29-30-19(11)21-27-8-9-28-21/h1-9,31H,(H,27,28)(H,29,30)
• InChIKey: UNQXZQAELLYVHR-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.88
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide?

The IUPAC name of 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide (CID 166048138) is 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide?

The canonical SMILES for 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1cccnc1Cl.

What is the InChIKey of 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide?

The InChIKey is UNQXZQAELLYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N6O2S/c22-20-14(2-1-7-26-20)34(32,33)31-13-6-5-12(23)15(17(13)25)10-3-4-11-18(16(10)24)29-30-19(11)21-27-8-9-28-21/h1-9,31H,(H,27,28)(H,29,30).

What are the key properties of 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide?

2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 504.88 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 166048138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).