4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

C17H18F3N3O3S — CID 92664146

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(3)13-10-8-12(9-11-13)16(24)21-15-7-5-4-6-14(15)17(18,19)20/h4-11H,1-3H3,(H,21,24)
InChIKeyFOXDVVAHESZJKK-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.20
Rot. Bonds5

About 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 92664146) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID92664146
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(3)13-10-8-12(9-11-13)16(24)21-15-7-5-4-6-14(15)17(18,19)20/h4-11H,1-3H3,(H,21,24)
InChIKeyFOXDVVAHESZJKK-UHFFFAOYSA-N
XLogP3.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
CID 53283277
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2984505
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 92664146) is 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FOXDVVAHESZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(3)13-10-8-12(9-11-13)16(24)21-15-7-5-4-6-14(15)17(18,19)20/h4-11H,1-3H3,(H,21,24).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 401.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 92664146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).