N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C12H14F3NO3S — CID 75414894

IUPACN,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCN(C)C(=O)CS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyHJISQCBKCQWJMG-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.71
Rot. Bonds4

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

N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 75414894) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID75414894
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCN(C)C(=O)CS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyHJISQCBKCQWJMG-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 75414894) is N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is CN(C)C(=O)CS(=O)(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is HJISQCBKCQWJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 309.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 75414894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).