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

C23H13F3N6O2S — CID 166048190

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

2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide (PubChem CID 166048190) has the molecular formula C23H13F3N6O2S and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
• PubChem CID: 166048190
• Molecular Formula: C23H13F3N6O2S
• Molecular Weight: 494.46 g/mol
• Exact Mass: 494.08
• IUPAC Name: 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
• SMILES: N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C23H13F3N6O2S/c24-15-7-8-16(32-35(33,34)17-4-2-1-3-12(17)11-27)20(26)18(15)13-5-6-14-21(19(13)25)30-31-22(14)23-28-9-10-29-23/h1-10,32H,(H,28,29)(H,30,31)
• InChIKey: ZOBRKKBVIBJSAC-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 127.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.46
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide (CID 166048190) is 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide.

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

The canonical SMILES for 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.

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

The InChIKey is ZOBRKKBVIBJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N6O2S/c24-15-7-8-16(32-35(33,34)17-4-2-1-3-12(17)11-27)20(26)18(15)13-5-6-14-21(19(13)25)30-31-22(14)23-28-9-10-29-23/h1-10,32H,(H,28,29)(H,30,31).

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

2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide has a molecular weight of 494.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166048190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).