ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C21H18FN3O5S — CID 15605565

About ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15605565) has the molecular formula C21H18FN3O5S and a molecular weight of 443.46 g/mol. Its IUPAC name is ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
• PubChem CID: 15605565
• Molecular Formula: C21H18FN3O5S
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.10
• IUPAC Name: ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
• SMILES: CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc3c12
• InChI: InChI=1S/C21H18FN3O5S/c1-3-30-21(27)15-10-23-19-18(15)14-9-13(5-7-17(14)24-20(19)26)31(28,29)25-16-6-4-12(22)8-11(16)2/h4-10,23,25H,3H2,1-2H3,(H,24,26)
• InChIKey: GNFIEBQWSSQCEK-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 121.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The IUPAC name of ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15605565) is ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

What is the SMILES notation for ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The canonical SMILES for ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc3c12.

What is the InChIKey of ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The InChIKey is GNFIEBQWSSQCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O5S/c1-3-30-21(27)15-10-23-19-18(15)14-9-13(5-7-17(14)24-20(19)26)31(28,29)25-16-6-4-12(22)8-11(16)2/h4-10,23,25H,3H2,1-2H3,(H,24,26).

What are the key properties of ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 443.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15605565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).