N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide

C23H18ClN3O3S — CID 112796034

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3S/c1-15-10-11-16(14-22(15)31(29,30)27-21-9-5-3-7-19(21)24)26-23(28)18-12-13-25-20-8-4-2-6-17(18)20/h2-14,27H,1H3,(H,26,28)
InChIKeyNVFGCSVVJKHOOJ-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.25
Rot. Bonds5

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide (PubChem CID 112796034) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
PubChem CID112796034
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3S/c1-15-10-11-16(14-22(15)31(29,30)27-21-9-5-3-7-19(21)24)26-23(28)18-12-13-25-20-8-4-2-6-17(18)20/h2-14,27H,1H3,(H,26,28)
InChIKeyNVFGCSVVJKHOOJ-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]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-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55787078
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 35933008
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35932965
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
CID 24621317
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
CID 38019848

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide (CID 112796034) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide is Cc1ccc(NC(=O)c2ccnc3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide?
The InChIKey is NVFGCSVVJKHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-15-10-11-16(14-22(15)31(29,30)27-21-9-5-3-7-19(21)24)26-23(28)18-12-13-25-20-8-4-2-6-17(18)20/h2-14,27H,1H3,(H,26,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 112796034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).