2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

C11H12F3NO5S — CID 104936834

IUPAC2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCOC(CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-20-8(10(16)17)6-15-21(18,19)9-5-3-2-4-7(9)11(12,13)14/h2-5,8,15H,6H2,1H3,(H,16,17)
InChIKeyCANZMVGLBOHTJZ-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.08
Rot. Bonds6

About 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 104936834) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
PubChem CID104936834
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCOC(CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-20-8(10(16)17)6-15-21(18,19)9-5-3-2-4-7(9)11(12,13)14/h2-5,8,15H,6H2,1H3,(H,16,17)
InChIKeyCANZMVGLBOHTJZ-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (CID 104936834) is 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is COC(CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is CANZMVGLBOHTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c1-20-8(10(16)17)6-15-21(18,19)9-5-3-2-4-7(9)11(12,13)14/h2-5,8,15H,6H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 327.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 104936834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).