[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium

C15H15F3NO2S+ — CID 9167976

IUPAC[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)22(20,21)11-6-2-1-3-7-11/h1-9,14H,10,19H2/p+1/t14-/m0/s1
InChIKeyXBTAJGRIGJITGL-AWEZNQCLSA-O
MW330.35 g/mol
LogP2.46
Rot. Bonds4

About [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium

[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium (PubChem CID 9167976) has the molecular formula C15H15F3NO2S+ and a molecular weight of 330.35 g/mol. Its IUPAC name is [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
PubChem CID9167976
Molecular FormulaC15H15F3NO2S+
Molecular Weight330.35 g/mol
Exact Mass330.08
IUPAC Name[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)22(20,21)11-6-2-1-3-7-11/h1-9,14H,10,19H2/p+1/t14-/m0/s1
InChIKeyXBTAJGRIGJITGL-AWEZNQCLSA-O
XLogP2.46
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
CID 9161906
[(2S)-2-thiophen-2-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 9167962
(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 9168030
[benzenesulfonyl-[2-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 68646210
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168569
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 140931341
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
hydroxy-[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 103574093
1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 91336792
1-[2-(trifluoromethyl)phenyl]ethyl trifluoromethanesulfonate
CID 102621523

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium?
The IUPAC name of [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium (CID 9167976) is [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium.
What is the SMILES notation for [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium?
The canonical SMILES for [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium is [NH3+]C[C@@H](c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium?
The InChIKey is XBTAJGRIGJITGL-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)22(20,21)11-6-2-1-3-7-11/h1-9,14H,10,19H2/p+1/t14-/m0/s1.
What are the key properties of [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium?
[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium has a molecular weight of 330.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium is sourced from PubChem (CID 9167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).