N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide

C11H13F3N2O3S — CID 12833907

IUPACN,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-16(2)10(17)7-8-5-3-4-6-9(8)15-20(18,19)11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeyQCQMCISPZPSKBI-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.58
Rot. Bonds4

About N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide

N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide (PubChem CID 12833907) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
PubChem CID12833907
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC NameN,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-16(2)10(17)7-8-5-3-4-6-9(8)15-20(18,19)11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeyQCQMCISPZPSKBI-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 13175476
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077678
3-[2-(tert-butylsulfonylamino)phenyl]propanoic acid
CID 107272629
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
CID 141071562
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 141147546

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide (CID 12833907) is N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide is CN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The InChIKey is QCQMCISPZPSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-16(2)10(17)7-8-5-3-4-6-9(8)15-20(18,19)11(12,13)14/h3-6,15H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide has a molecular weight of 310.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 12833907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).