2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide

C23H18ClN3O3S — CID 39204456

IUPAC2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)27-18-6-4-5-17(13-18)25-23(28)20-14-22(15-9-11-16(24)12-10-15)26-21-8-3-2-7-19(20)21/h2-14,27H,1H3,(H,25,28)
InChIKeyMJZSZDFESWTCNA-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.18
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide (PubChem CID 39204456) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
PubChem CID39204456
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)27-18-6-4-5-17(13-18)25-23(28)20-14-22(15-9-11-16(24)12-10-15)26-21-8-3-2-7-19(20)21/h2-14,27H,1H3,(H,25,28)
InChIKeyMJZSZDFESWTCNA-UHFFFAOYSA-N
XLogP5.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]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-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
CID 60610827
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide (CID 39204456) is 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide?
The InChIKey is MJZSZDFESWTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-31(29,30)27-18-6-4-5-17(13-18)25-23(28)20-14-22(15-9-11-16(24)12-10-15)26-21-8-3-2-7-19(20)21/h2-14,27H,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 39204456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).