3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C23H22ClN3O4S — CID 55575626

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-25-22(28)17-11-9-16(10-12-17)15-26-23(29)18-5-3-8-21(13-18)32(30,31)27(2)20-7-4-6-19(24)14-20/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYOEGMIKXXGHZEY-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.45
Rot. Bonds7

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 55575626) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID55575626
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-25-22(28)17-11-9-16(10-12-17)15-26-23(29)18-5-3-8-21(13-18)32(30,31)27(2)20-7-4-6-19(24)14-20/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYOEGMIKXXGHZEY-UHFFFAOYSA-N
XLogP3.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859038
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446007

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 55575626) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is YOEGMIKXXGHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-25-22(28)17-11-9-16(10-12-17)15-26-23(29)18-5-3-8-21(13-18)32(30,31)27(2)20-7-4-6-19(24)14-20/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55575626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).