4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

C21H19FN2O3S — CID 23885342

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-24(15-16-6-3-2-4-7-16)28(26,27)20-12-10-17(11-13-20)21(25)23-19-9-5-8-18(22)14-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyCZAWGPCMHQPLGF-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.90
Rot. Bonds6

About 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 23885342) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID23885342
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-24(15-16-6-3-2-4-7-16)28(26,27)20-12-10-17(11-13-20)21(25)23-19-9-5-8-18(22)14-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyCZAWGPCMHQPLGF-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
CID 1025638
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 23885342) is 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is CZAWGPCMHQPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-24(15-16-6-3-2-4-7-16)28(26,27)20-12-10-17(11-13-20)21(25)23-19-9-5-8-18(22)14-19/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 23885342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).