N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide

C11H15F3N2O2S — CID 59536927

IUPACN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-2-19(17,18)16-7-10(15)8-5-3-4-6-9(8)11(12,13)14/h3-6,10,16H,2,7,15H2,1H3
InChIKeyUUUDDABRWVFELP-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.64
Rot. Bonds5

About N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide

N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide (PubChem CID 59536927) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
PubChem CID59536927
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-2-19(17,18)16-7-10(15)8-5-3-4-6-9(8)11(12,13)14/h3-6,10,16H,2,7,15H2,1H3
InChIKeyUUUDDABRWVFELP-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
CID 68646688
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 75518583
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide (CID 59536927) is N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
The InChIKey is UUUDDABRWVFELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-19(17,18)16-7-10(15)8-5-3-4-6-9(8)11(12,13)14/h3-6,10,16H,2,7,15H2,1H3.
What are the key properties of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide?
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 59536927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).