N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide

C11H11F6NO2S — CID 75518583

IUPACN-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(c1ccccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6NO2S/c1-2-21(19,20)18-9(11(15,16)17)7-5-3-4-6-8(7)10(12,13)14/h3-6,9,18H,2H2,1H3
InChIKeyUJMRGIWABOMYBU-UHFFFAOYSA-N
MW335.27 g/mol
LogP3.25
Rot. Bonds4

About N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide

N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide (PubChem CID 75518583) has the molecular formula C11H11F6NO2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
PubChem CID75518583
Molecular FormulaC11H11F6NO2S
Molecular Weight335.27 g/mol
Exact Mass335.04
IUPAC NameN-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(c1ccccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6NO2S/c1-2-21(19,20)18-9(11(15,16)17)7-5-3-4-6-8(7)10(12,13)14/h3-6,9,18H,2H2,1H3
InChIKeyUJMRGIWABOMYBU-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 59536927
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
CID 68646688
1-[2-(trifluoromethyl)phenyl]propyl methanesulfonate
CID 122475545
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1-[2-(trifluoromethyl)phenyl]ethyl trifluoromethanesulfonate
CID 102621523
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide (CID 75518583) is N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide is CCS(=O)(=O)NC(c1ccccc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The InChIKey is UJMRGIWABOMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO2S/c1-2-21(19,20)18-9(11(15,16)17)7-5-3-4-6-8(7)10(12,13)14/h3-6,9,18H,2H2,1H3.
What are the key properties of N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 75518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).