ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate

C17H16F3NO5S — CID 3840083

IUPACethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H16F3NO5S/c1-2-25-16(22)15(12-8-4-3-5-9-12)21-27(23,24)14-11-7-6-10-13(14)26-17(18,19)20/h3-11,15,21H,2H2,1H3
InChIKeyGLSOIRIFAKQAIA-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.17
Rot. Bonds7

About ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate

ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate (PubChem CID 3840083) has the molecular formula C17H16F3NO5S and a molecular weight of 403.38 g/mol. Its IUPAC name is ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
PubChem CID3840083
Molecular FormulaC17H16F3NO5S
Molecular Weight403.38 g/mol
Exact Mass403.07
IUPAC Nameethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H16F3NO5S/c1-2-25-16(22)15(12-8-4-3-5-9-12)21-27(23,24)14-11-7-6-10-13(14)26-17(18,19)20/h3-11,15,21H,2H2,1H3
InChIKeyGLSOIRIFAKQAIA-UHFFFAOYSA-N
XLogP3.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
ethyl (2S)-6-[(4-methylphenyl)sulfonylamino]-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]hexanoate
CID 74224203
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate (CID 3840083) is ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate is CCOC(=O)C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The InChIKey is GLSOIRIFAKQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5S/c1-2-25-16(22)15(12-8-4-3-5-9-12)21-27(23,24)14-11-7-6-10-13(14)26-17(18,19)20/h3-11,15,21H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate has a molecular weight of 403.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 3840083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).