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

C25H20F3N5O2S — CID 166048120

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

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 166048120) has the molecular formula C25H20F3N5O2S and a molecular weight of 511.53 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide
• PubChem CID: 166048120
• Molecular Formula: C25H20F3N5O2S
• Molecular Weight: 511.53 g/mol
• Exact Mass: 511.13
• IUPAC Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3ccc4c(-c5ncc[nH]5)[nH]nc4c3F)c2F)c1
• InChI: InChI=1S/C25H20F3N5O2S/c1-13(2)14-4-3-5-15(12-14)36(34,35)33-19-9-8-18(26)20(22(19)28)16-6-7-17-23(21(16)27)31-32-24(17)25-29-10-11-30-25/h3-13,33H,1-2H3,(H,29,30)(H,31,32)
• InChIKey: MKTSUWJPIVNUAO-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.53
LogP ≤ 5	5.96
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]-3-propan-2-ylbenzenesulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide (CID 166048120) is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide.

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

The canonical SMILES for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide is CC(C)c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3ccc4c(-c5ncc[nH]5)[nH]nc4c3F)c2F)c1.

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

The InChIKey is MKTSUWJPIVNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2S/c1-13(2)14-4-3-5-15(12-14)36(34,35)33-19-9-8-18(26)20(22(19)28)16-6-7-17-23(21(16)27)31-32-24(17)25-29-10-11-30-25/h3-13,33H,1-2H3,(H,29,30)(H,31,32).

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

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 511.53 g/mol, XLogP of 5.96, 6 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]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 166048120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).