N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide

C17H17F3N2O3S — CID 26542056

IUPACN-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-16(23)13-5-3-12(4-6-13)11-22(2)26(24,25)15-9-7-14(8-10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQIZSLSSQXXUITN-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide

N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide (PubChem CID 26542056) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
PubChem CID26542056
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-16(23)13-5-3-12(4-6-13)11-22(2)26(24,25)15-9-7-14(8-10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQIZSLSSQXXUITN-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[benzyl(methyl)sulfamoyl]-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972439
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
N-methyl-4-[[methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 8966054
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide (CID 26542056) is N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The InChIKey is QIZSLSSQXXUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-21-16(23)13-5-3-12(4-6-13)11-22(2)26(24,25)15-9-7-14(8-10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide is sourced from PubChem (CID 26542056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).