2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C23H17Cl2N3O3S — CID 4613486

IUPAC2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C23H17Cl2N3O3S/c24-19-10-7-15(11-20(19)25)22-12-18(17-3-1-2-4-21(17)28-22)23(29)27-13-14-5-8-16(9-6-14)32(26,30)31/h1-12H,13H2,(H,27,29)(H2,26,30,31)
InChIKeyQKSRGSXQGJEOSN-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.79
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4613486) has the molecular formula C23H17Cl2N3O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID4613486
Molecular FormulaC23H17Cl2N3O3S
Molecular Weight486.38 g/mol
Exact Mass485.04
IUPAC Name2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C23H17Cl2N3O3S/c24-19-10-7-15(11-20(19)25)22-12-18(17-3-1-2-4-21(17)28-22)23(29)27-13-14-5-8-16(9-6-14)32(26,30)31/h1-12H,13H2,(H,27,29)(H2,26,30,31)
InChIKeyQKSRGSXQGJEOSN-UHFFFAOYSA-N
XLogP4.79
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]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

2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
CID 5209906
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729745
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 167874087
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 4613486) is 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is QKSRGSXQGJEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3S/c24-19-10-7-15(11-20(19)25)22-12-18(17-3-1-2-4-21(17)28-22)23(29)27-13-14-5-8-16(9-6-14)32(26,30)31/h1-12H,13H2,(H,27,29)(H2,26,30,31).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 486.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4613486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).