2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C23H18ClN3O3S — CID 2168182

IUPAC2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-20-7-3-1-6-18(20)22-13-19(17-5-2-4-8-21(17)27-22)23(28)26-14-15-9-11-16(12-10-15)31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyORCDAEDXFKSLHD-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 2168182) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID2168182
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-20-7-3-1-6-18(20)22-13-19(17-5-2-4-8-21(17)27-22)23(28)26-14-15-9-11-16(12-10-15)31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyORCDAEDXFKSLHD-UHFFFAOYSA-N
XLogP4.13
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-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-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 2168182) is 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is ORCDAEDXFKSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c24-20-7-3-1-6-18(20)22-13-19(17-5-2-4-8-21(17)27-22)23(28)26-14-15-9-11-16(12-10-15)31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 2168182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).