N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

C26H24FN3O3S — CID 3627376

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H24FN3O3S/c1-3-30(4-2)34(32,33)21-9-7-8-20(16-21)28-26(31)23-17-25(18-12-14-19(27)15-13-18)29-24-11-6-5-10-22(23)24/h5-17H,3-4H2,1-2H3,(H,28,31)
InChIKeyLBEVGRXEHUVNES-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.32
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 3627376) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID3627376
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H24FN3O3S/c1-3-30(4-2)34(32,33)21-9-7-8-20(16-21)28-26(31)23-17-25(18-12-14-19(27)15-13-18)29-24-11-6-5-10-22(23)24/h5-17H,3-4H2,1-2H3,(H,28,31)
InChIKeyLBEVGRXEHUVNES-UHFFFAOYSA-N
XLogP5.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5073082
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 46468871
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 3627376) is N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is LBEVGRXEHUVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-3-30(4-2)34(32,33)21-9-7-8-20(16-21)28-26(31)23-17-25(18-12-14-19(27)15-13-18)29-24-11-6-5-10-22(23)24/h5-17H,3-4H2,1-2H3,(H,28,31).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3627376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).