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

C11H16ClF3N2O2S — CID 68646688

IUPACN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/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;1H
InChIKeyZQMHKPNRBPWLBS-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.07
Rot. Bonds5

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

N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 68646688) has the molecular formula C11H16ClF3N2O2S and a molecular weight of 332.78 g/mol. Its IUPAC name is N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
PubChem CID68646688
Molecular FormulaC11H16ClF3N2O2S
Molecular Weight332.78 g/mol
Exact Mass332.06
IUPAC NameN-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/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;1H
InChIKeyZQMHKPNRBPWLBS-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 59536927
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 75518583
(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
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(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]decan-1-amine
CID 115831210

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride (CID 68646688) is N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is ZQMHKPNRBPWLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S.ClH/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;1H.
What are the key properties of N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride?
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 68646688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).