2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide

C12H14F4N2O4S — CID 47090036

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O4S/c1-22-5-4-18(7-11(17)19)23(20,21)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H2,17,19)
InChIKeyYKMBEPUACPGDCY-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.97
Rot. Bonds7

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide

2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide (PubChem CID 47090036) has the molecular formula C12H14F4N2O4S and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide
PubChem CID47090036
Molecular FormulaC12H14F4N2O4S
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O4S/c1-22-5-4-18(7-11(17)19)23(20,21)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H2,17,19)
InChIKeyYKMBEPUACPGDCY-UHFFFAOYSA-N
XLogP0.97
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 52746584
2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090064
ethyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetate
CID 55854831
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
[4-(2-methoxyethyl)phenyl] 4-fluoro-3-(trifluoromethyl)benzenesulfonate
CID 52746580
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5228772
5-[cyclopropyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 63288473

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide (CID 47090036) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is YKMBEPUACPGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O4S/c1-22-5-4-18(7-11(17)19)23(20,21)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H2,17,19).
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 358.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 47090036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).