N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide

C19H15F3N4O4S — CID 146278092

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide (PubChem CID 146278092) has the molecular formula C19H15F3N4O4S and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide.

Molecular Properties

• Compound Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide
• PubChem CID: 146278092
• Molecular Formula: C19H15F3N4O4S
• Molecular Weight: 452.41 g/mol
• Exact Mass: 452.08
• IUPAC Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide
• SMILES: COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2c1ccc1ccc[nH]c12
• InChI: InChI=1S/C19H15F3N4O4S/c1-29-19-13(7-12(20)18(25-19)30-9-15(21)22)26-31(27,28)14-8-24-17-11(14)5-4-10-3-2-6-23-16(10)17/h2-8,15,23,26H,9H2,1H3
• InChIKey: MLBFZEAECUJYAE-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.41
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide?

The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide (CID 146278092) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide.

What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide?

The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2c1ccc1ccc[nH]c12.

What is the InChIKey of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide?

The InChIKey is MLBFZEAECUJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4S/c1-29-19-13(7-12(20)18(25-19)30-9-15(21)22)26-31(27,28)14-8-24-17-11(14)5-4-10-3-2-6-23-16(10)17/h2-8,15,23,26H,9H2,1H3.

What are the key properties of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide?

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide has a molecular weight of 452.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide is sourced from PubChem (CID 146278092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).