8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C18H11F2N3O5S — CID 68564092

IUPAC8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12
InChIInChI=1S/C18H11F2N3O5S/c19-8-3-9(20)5-10(4-8)23-29(27,28)11-1-2-14-12(6-11)15-13(18(25)26)7-21-16(15)17(24)22-14/h1-7,21,23H,(H,22,24)(H,25,26)
InChIKeyRSFLWBLYUJPXHT-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.79
Rot. Bonds4

About 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68564092) has the molecular formula C18H11F2N3O5S and a molecular weight of 419.37 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68564092
Molecular FormulaC18H11F2N3O5S
Molecular Weight419.37 g/mol
Exact Mass419.04
IUPAC Name8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12
InChIInChI=1S/C18H11F2N3O5S/c19-8-3-9(20)5-10(4-8)23-29(27,28)11-1-2-14-12(6-11)15-13(18(25)26)7-21-16(15)17(24)22-14/h1-7,21,23H,(H,22,24)(H,25,26)
InChIKeyRSFLWBLYUJPXHT-UHFFFAOYSA-N
XLogP2.79
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68564092) is 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12.
What is the InChIKey of 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is RSFLWBLYUJPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O5S/c19-8-3-9(20)5-10(4-8)23-29(27,28)11-1-2-14-12(6-11)15-13(18(25)26)7-21-16(15)17(24)22-14/h1-7,21,23H,(H,22,24)(H,25,26).
What are the key properties of 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 419.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68564092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).