N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C21H19FN2O3S — CID 9412389

IUPACN-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15-6-12-20(13-7-15)28(26,27)24(2)19-10-8-16(9-11-19)21(25)23-18-5-3-4-17(22)14-18/h3-14H,1-2H3,(H,23,25)
InChIKeyIYHOHWJZKSMZBW-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.21
Rot. Bonds5

About N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 9412389) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID9412389
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15-6-12-20(13-7-15)28(26,27)24(2)19-10-8-16(9-11-19)21(25)23-18-5-3-4-17(22)14-18/h3-14H,1-2H3,(H,23,25)
InChIKeyIYHOHWJZKSMZBW-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55800306
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
3-[[4-[methyl-(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6958792

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 9412389) is N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is IYHOHWJZKSMZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-6-12-20(13-7-15)28(26,27)24(2)19-10-8-16(9-11-19)21(25)23-18-5-3-4-17(22)14-18/h3-14H,1-2H3,(H,23,25).
What are the key properties of N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 9412389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).