4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide

C₂₆H₂₀F₃N₅O₃S — CID 155568966

About 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide

4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide (PubChem CID 155568966) has the molecular formula C₂₆H₂₀F₃N₅O₃S and a molecular weight of 539.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
• PubChem CID: 155568966
• Molecular Formula: C₂₆H₂₀F₃N₅O₃S
• Molecular Weight: 539.54 g/mol
• Exact Mass: 539.12
• IUPAC Name: 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccc(OC(F)(F)F)cc5)cnc34)cc2)cc1
• InChI: InChI=1S/C26H20F3N5O3S/c1-17-2-12-22(13-3-17)38(35,36)33-20-8-6-19(7-9-20)32-24-25-31-16-23(34(25)15-14-30-24)18-4-10-21(11-5-18)37-26(27,28)29/h2-16,33H,1H3,(H,30,32)
• InChIKey: SAKQUBPFZUTZIG-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.54
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide (CID 155568966) is 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccc(OC(F)(F)F)cc5)cnc34)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?

The InChIKey is SAKQUBPFZUTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3S/c1-17-2-12-22(13-3-17)38(35,36)33-20-8-6-19(7-9-20)32-24-25-31-16-23(34(25)15-14-30-24)18-4-10-21(11-5-18)37-26(27,28)29/h2-16,33H,1H3,(H,30,32).

What are the key properties of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?

4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 539.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 155568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155568966 — identifiers, structure, computed properties (public domain)

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