3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide

C23H18ClN3O3S — CID 55784053

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C23H18ClN3O3S/c1-27(20-8-3-7-18(24)15-20)31(29,30)21-9-2-5-17(14-21)23(28)26-19-10-11-22-16(13-19)6-4-12-25-22/h2-15H,1H3,(H,26,28)
InChIKeyVKNRELIYKWFZJT-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.97
Rot. Bonds5

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide (PubChem CID 55784053) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
PubChem CID55784053
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C23H18ClN3O3S/c1-27(20-8-3-7-18(24)15-20)31(29,30)21-9-2-5-17(14-21)23(28)26-19-10-11-22-16(13-19)6-4-12-25-22/h2-15H,1H3,(H,26,28)
InChIKeyVKNRELIYKWFZJT-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-8-ylbenzamide
CID 26123697
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16564284
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
N-quinolin-6-ylbenzamide
CID 833617
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide (CID 55784053) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide?
The InChIKey is VKNRELIYKWFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-27(20-8-3-7-18(24)15-20)31(29,30)21-9-2-5-17(14-21)23(28)26-19-10-11-22-16(13-19)6-4-12-25-22/h2-15H,1H3,(H,26,28).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-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-6-ylbenzamide is sourced from PubChem (CID 55784053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).