3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

C21H19FN2O3S — CID 109065763

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-9-10-20(15(2)11-14)24-28(26,27)19-8-3-5-16(12-19)21(25)23-18-7-4-6-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQLJIYUNNVOKQNY-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 109065763) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID109065763
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-9-10-20(15(2)11-14)24-28(26,27)19-8-3-5-16(12-19)21(25)23-18-7-4-6-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQLJIYUNNVOKQNY-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-(2,4-dimethylphenyl)-3-[[(4-fluoro-2-methylphenyl)sulfonylamino]carbamoyl]benzenesulfonamide
CID 30666490
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
CID 170977001
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 109065763) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is QLJIYUNNVOKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-9-10-20(15(2)11-14)24-28(26,27)19-8-3-5-16(12-19)21(25)23-18-7-4-6-17(22)13-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 109065763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).