6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide

C20H20FN3O4S — CID 2496234

IUPAC6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12(2)11-22-20(26)17-10-19(25)23-18-8-7-15(9-16(17)18)29(27,28)24-14-5-3-13(21)4-6-14/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFFAQMUVISGSQFN-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.85
Rot. Bonds6

About 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide

6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2496234) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2496234
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12(2)11-22-20(26)17-10-19(25)23-18-8-7-15(9-16(17)18)29(27,28)24-14-5-3-13(21)4-6-14/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFFAQMUVISGSQFN-UHFFFAOYSA-N
XLogP2.85
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide (CID 2496234) is 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide is CC(C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12.
What is the InChIKey of 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FFAQMUVISGSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-12(2)11-22-20(26)17-10-19(25)23-18-8-7-15(9-16(17)18)29(27,28)24-14-5-3-13(21)4-6-14/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide?
6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfamoyl]-N-(2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2496234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).