3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide

C22H22N2O3S — CID 9342801

IUPAC3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-11-12-21(17(2)13-16)24-22(25)19-9-6-10-20(14-19)28(26,27)23-15-18-7-4-3-5-8-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyWRFPAWLEWRCIJY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide

3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 9342801) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
PubChem CID9342801
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-11-12-21(17(2)13-16)24-22(25)19-9-6-10-20(14-19)28(26,27)23-15-18-7-4-3-5-8-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyWRFPAWLEWRCIJY-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

3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 60588277

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide (CID 9342801) is 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is WRFPAWLEWRCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-11-12-21(17(2)13-16)24-22(25)19-9-6-10-20(14-19)28(26,27)23-15-18-7-4-3-5-8-18/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide?
3-(benzylsulfamoyl)-N-(2,4-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 3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 9342801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).