4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide

C22H22N2O3S — CID 109060594

IUPAC4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H22N2O3S/c1-16-8-11-20(14-17(16)2)24-22(25)19-9-12-21(13-10-19)28(26,27)23-15-18-6-4-3-5-7-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyUWPYDDQVHNHKGQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide

4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide (PubChem CID 109060594) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
PubChem CID109060594
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H22N2O3S/c1-16-8-11-20(14-17(16)2)24-22(25)19-9-12-21(13-10-19)28(26,27)23-15-18-6-4-3-5-7-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyUWPYDDQVHNHKGQ-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide (CID 109060594) is 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C.
What is the InChIKey of 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is UWPYDDQVHNHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-8-11-20(14-17(16)2)24-22(25)19-9-12-21(13-10-19)28(26,27)23-15-18-6-4-3-5-7-18/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide?
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 109060594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).