2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride

C11H16ClF3N2O2S — CID 130332257

IUPAC2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)CC(N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-16(2)19(17,18)7-10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-6,10H,7,15H2,1-2H3;1H
InChIKeyQYKDHEGXOOVFQS-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride

2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride (PubChem CID 130332257) has the molecular formula C11H16ClF3N2O2S and a molecular weight of 332.78 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
PubChem CID130332257
Molecular FormulaC11H16ClF3N2O2S
Molecular Weight332.78 g/mol
Exact Mass332.06
IUPAC Name2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)CC(N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-16(2)19(17,18)7-10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-6,10H,7,15H2,1-2H3;1H
InChIKeyQYKDHEGXOOVFQS-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173006835
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447
2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850671
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
2-amino-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]ethanesulfonic acid
CID 11302891
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride?
The IUPAC name of 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride (CID 130332257) is 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride is CN(C)S(=O)(=O)CC(N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride?
The InChIKey is QYKDHEGXOOVFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S.ClH/c1-16(2)19(17,18)7-10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-6,10H,7,15H2,1-2H3;1H.
What are the key properties of 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride?
2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 130332257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).