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

C21H19FN2O3S — CID 109061734

IUPACN-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-6-11-20(15(2)12-14)23-21(25)16-7-9-19(10-8-16)28(26,27)24-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRXBGJMPYFULMMW-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide (PubChem CID 109061734) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
PubChem CID109061734
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-6-11-20(15(2)12-14)23-21(25)16-7-9-19(10-8-16)28(26,27)24-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRXBGJMPYFULMMW-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

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26538703
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide (CID 109061734) is N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is RXBGJMPYFULMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-6-11-20(15(2)12-14)23-21(25)16-7-9-19(10-8-16)28(26,27)24-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide?
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]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 N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).