4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide

C10H11F3N2O3S — CID 54168288

IUPAC4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-15(2)19(17,18)6-3-4-7(9(14)16)8(5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16)
InChIKeyOTFFIBGHSIEZDG-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.05
Rot. Bonds3

About 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide

4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide (PubChem CID 54168288) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide
PubChem CID54168288
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-15(2)19(17,18)6-3-4-7(9(14)16)8(5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16)
InChIKeyOTFFIBGHSIEZDG-UHFFFAOYSA-N
XLogP1.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-[methyl(oxolan-3-yl)sulfamoyl]-2-(trifluoromethyl)benzoic acid
CID 138001320
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 143925868
4-amino-2-(dimethylsulfamoyl)benzamide
CID 162727252
4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
CID 114900716
4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459204
4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
CID 90980774
2-(dimethylsulfamoyl)-5-fluorobenzamide
CID 177115411
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide (CID 54168288) is 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide?
The InChIKey is OTFFIBGHSIEZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-15(2)19(17,18)6-3-4-7(9(14)16)8(5-6)10(11,12)13/h3-5H,1-2H3,(H2,14,16).
What are the key properties of 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide?
4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide has a molecular weight of 296.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 54168288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).