2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide

C24H19F2N3O4S — CID 118522068

IUPAC2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide
SMILESCNS(=O)(=O)c1c(F)cccc1NC(=O)c1cc2ccccc2nc1Oc1ccc(F)cc1C
InChIInChI=1S/C24H19F2N3O4S/c1-14-12-16(25)10-11-21(14)33-24-17(13-15-6-3-4-8-19(15)29-24)23(30)28-20-9-5-7-18(26)22(20)34(31,32)27-2/h3-13,27H,1-2H3,(H,28,30)
InChIKeyXHIBSDPMJYICNV-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide

2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide (PubChem CID 118522068) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide
PubChem CID118522068
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide
SMILESCNS(=O)(=O)c1c(F)cccc1NC(=O)c1cc2ccccc2nc1Oc1ccc(F)cc1C
InChIInChI=1S/C24H19F2N3O4S/c1-14-12-16(25)10-11-21(14)33-24-17(13-15-6-3-4-8-19(15)29-24)23(30)28-20-9-5-7-18(26)22(20)34(31,32)27-2/h3-13,27H,1-2H3,(H,28,30)
InChIKeyXHIBSDPMJYICNV-UHFFFAOYSA-N
XLogP4.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide (CID 118522068) is 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide is CNS(=O)(=O)c1c(F)cccc1NC(=O)c1cc2ccccc2nc1Oc1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide?
The InChIKey is XHIBSDPMJYICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c1-14-12-16(25)10-11-21(14)33-24-17(13-15-6-3-4-8-19(15)29-24)23(30)28-20-9-5-7-18(26)22(20)34(31,32)27-2/h3-13,27H,1-2H3,(H,28,30).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide?
2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 118522068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).