N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide

C24H20FN3O3S — CID 55645214

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C24H20FN3O3S/c1-15-7-12-21-17(13-15)14-20(16(2)26-21)24(29)27-22-5-3-4-6-23(22)28-32(30,31)19-10-8-18(25)9-11-19/h3-14,28H,1-2H3,(H,27,29)
InChIKeyNDEYOTCEQYBFLC-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.04
Rot. Bonds5

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 55645214) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID55645214
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C24H20FN3O3S/c1-15-7-12-21-17(13-15)14-20(16(2)26-21)24(29)27-22-5-3-4-6-23(22)28-32(30,31)19-10-8-18(25)9-11-19/h3-14,28H,1-2H3,(H,27,29)
InChIKeyNDEYOTCEQYBFLC-UHFFFAOYSA-N
XLogP5.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
CID 47093054
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
CID 55466865
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
CID 47067402

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide (CID 55645214) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2c1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is NDEYOTCEQYBFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-15-7-12-21-17(13-15)14-20(16(2)26-21)24(29)27-22-5-3-4-6-23(22)28-32(30,31)19-10-8-18(25)9-11-19/h3-14,28H,1-2H3,(H,27,29).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55645214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).