3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide

C23H18ClN3O3S — CID 26123697

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H18ClN3O3S/c1-27(19-10-4-9-18(24)15-19)31(29,30)20-11-2-7-17(14-20)23(28)26-21-12-3-6-16-8-5-13-25-22(16)21/h2-15H,1H3,(H,26,28)
InChIKeyBKGMLRUMDGLCQE-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.97
Rot. Bonds5

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide (PubChem CID 26123697) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
PubChem CID26123697
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H18ClN3O3S/c1-27(19-10-4-9-18(24)15-19)31(29,30)20-11-2-7-17(14-20)23(28)26-21-12-3-6-16-8-5-13-25-22(16)21/h2-15H,1H3,(H,26,28)
InChIKeyBKGMLRUMDGLCQE-UHFFFAOYSA-N
XLogP4.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123442
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide (CID 26123697) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide?
The InChIKey is BKGMLRUMDGLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-27(19-10-4-9-18(24)15-19)31(29,30)20-11-2-7-17(14-20)23(28)26-21-12-3-6-16-8-5-13-25-22(16)21/h2-15H,1H3,(H,26,28).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide has a molecular weight of 451.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 26123697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).