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

C21H19FN2O3S — CID 26579304

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C
InChIInChI=1S/C21H19FN2O3S/c1-14-6-9-19(12-15(14)2)24-28(26,27)20-10-7-16(8-11-20)21(25)23-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyODJYWPGSMUENDR-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

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

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 26579304) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID26579304
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C
InChIInChI=1S/C21H19FN2O3S/c1-14-6-9-19(12-15(14)2)24-28(26,27)20-10-7-16(8-11-20)21(25)23-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyODJYWPGSMUENDR-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-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 26579304) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is ODJYWPGSMUENDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-6-9-19(12-15(14)2)24-28(26,27)20-10-7-16(8-11-20)21(25)23-18-5-3-4-17(22)13-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
4-[(3,4-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 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 26579304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).