3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide

C22H22N2O3S — CID 109065731

IUPAC3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-9-19(10-8-15)23-22(25)18-5-4-6-21(14-18)28(26,27)24-20-12-16(2)11-17(3)13-20/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFAHICOIGRFMXIR-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

About 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide

3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (PubChem CID 109065731) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
PubChem CID109065731
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-9-19(10-8-15)23-22(25)18-5-4-6-21(14-18)28(26,27)24-20-12-16(2)11-17(3)13-20/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFAHICOIGRFMXIR-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 109065704
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (CID 109065731) is 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The InChIKey is FAHICOIGRFMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-7-9-19(10-8-15)23-22(25)18-5-4-6-21(14-18)28(26,27)24-20-12-16(2)11-17(3)13-20/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 109065731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).