N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C23H20N4O3S — CID 26289344

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H20N4O3S/c1-27(2)31(29,30)18-7-5-6-17(14-18)25-23(28)20-15-22(16-10-12-24-13-11-16)26-21-9-4-3-8-19(20)21/h3-15H,1-2H3,(H,25,28)
InChIKeyAUTHAESUTIGGIR-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.80
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 26289344) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID26289344
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H20N4O3S/c1-27(2)31(29,30)18-7-5-6-17(14-18)25-23(28)20-15-22(16-10-12-24-13-11-16)26-21-9-4-3-8-19(20)21/h3-15H,1-2H3,(H,25,28)
InChIKeyAUTHAESUTIGGIR-UHFFFAOYSA-N
XLogP3.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 16539935
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
1-[3-(dimethylsulfamoyl)phenyl]-3-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]thiourea
CID 42992799
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 26289344) is N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is AUTHAESUTIGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-27(2)31(29,30)18-7-5-6-17(14-18)25-23(28)20-15-22(16-10-12-24-13-11-16)26-21-9-4-3-8-19(20)21/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 26289344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).