N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C12H14F3NO3S — CID 52602271

IUPACN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCN(C)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyWSVRLAUMNXTZJW-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.71
Rot. Bonds4

About N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 52602271) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID52602271
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCN(C)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyWSVRLAUMNXTZJW-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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Related Compounds

N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
N,N-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine
CID 73053501
N-Methyl-N-(phenylmethanesulfonyl)acetamide
CID 15062897
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 16261908
(+/-)-2-(Bis(4-fluorophenyl)methylsulfinyl)-N,N-dimethylacetamide
CID 53321412
4-[(3,4-difluorophenyl)methylsulfinyl]-N,N-dimethylbutanamide
CID 75380070
4-(Benzylsulfonylmethyl)-1-methylpyridin-2-one
CID 75461657
4-[(3-Fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 75461658
N-[tert-butyl-oxo-[[4-(trifluoromethyl)phenyl]methyl]-lambda6-sulfanylidene]-2,2-dimethylpropanamide
CID 162396822
4-[bis(4-fluorophenyl)methylsulfonyl]-N,N-dimethylbutanamide
CID 47035175
N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 47206642

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 52602271) is N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is CN(C)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is WSVRLAUMNXTZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-16(2)11(17)8-20(18,19)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
N,N-dimethyl-2-[[4-(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-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 52602271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).