N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane

C25H24F3N3O5S — CID 143384319

About N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane

N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane (PubChem CID 143384319) has the molecular formula C25H24F3N3O5S and a molecular weight of 535.54 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane
• PubChem CID: 143384319
• Molecular Formula: C25H24F3N3O5S
• Molecular Weight: 535.54 g/mol
• Exact Mass: 535.14
• IUPAC Name: N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane
• SMILES: CC.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)c2c1
• InChI: InChI=1S/C23H18F3N3O5S.C2H6/c1-33-8-9-34-14-10-16-17(12-28-23(16)27-11-14)22(30)20-18(25)6-7-19(21(20)26)29-35(31,32)15-4-2-13(24)3-5-15;1-2/h2-7,10-12,29H,8-9H2,1H3,(H,27,28);1-2H3
• InChIKey: FGUPXPFHCIASFI-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 110.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.54
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane?

The IUPAC name of N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane (CID 143384319) is N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane.

What is the SMILES notation for N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane?

The canonical SMILES for N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane is CC.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)c2c1.

What is the InChIKey of N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane?

The InChIKey is FGUPXPFHCIASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O5S.C2H6/c1-33-8-9-34-14-10-16-17(12-28-23(16)27-11-14)22(30)20-18(25)6-7-19(21(20)26)29-35(31,32)15-4-2-13(24)3-5-15;1-2/h2-7,10-12,29H,8-9H2,1H3,(H,27,28);1-2H3.

What are the key properties of N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane?

N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane has a molecular weight of 535.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-fluorobenzenesulfonamide;ethane is sourced from PubChem (CID 143384319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).