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

C22H12F5N5O2S — CID 166048166

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

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 166048166) has the molecular formula C22H12F5N5O2S and a molecular weight of 505.43 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide
• PubChem CID: 166048166
• Molecular Formula: C22H12F5N5O2S
• Molecular Weight: 505.43 g/mol
• Exact Mass: 505.06
• IUPAC Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide
• SMILES: O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1c(F)cccc1F
• InChI: InChI=1S/C22H12F5N5O2S/c23-12-6-7-15(32-35(33,34)21-13(24)2-1-3-14(21)25)18(27)16(12)10-4-5-11-19(17(10)26)30-31-20(11)22-28-8-9-29-22/h1-9,32H,(H,28,29)(H,30,31)
• InChIKey: LSERMFKQLZHNJT-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.43
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide (CID 166048166) is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide.

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

The canonical SMILES for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1c(F)cccc1F.

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

The InChIKey is LSERMFKQLZHNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F5N5O2S/c23-12-6-7-15(32-35(33,34)21-13(24)2-1-3-14(21)25)18(27)16(12)10-4-5-11-19(17(10)26)30-31-20(11)22-28-8-9-29-22/h1-9,32H,(H,28,29)(H,30,31).

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

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 505.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 166048166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).