2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide

C24H19F2N3O4S — CID 118522069

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(F)c(S(N)(=O)=O)c1C
InChIInChI=1S/C24H19F2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyOLZJFLSVPIDFOO-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.82
Rot. Bonds5

About 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide

2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 118522069) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID118522069
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(F)c(S(N)(=O)=O)c1C
InChIInChI=1S/C24H19F2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyOLZJFLSVPIDFOO-UHFFFAOYSA-N
XLogP4.82
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.82
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-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide (CID 118522069) is 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide is Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(F)c(S(N)(=O)=O)c1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is OLZJFLSVPIDFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(4-fluoro-2-methylphenoxy)-N-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.82, 5 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-(4-fluoro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 118522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).