3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid

C10H10F3NO6S — CID 43242373

IUPAC3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO6S/c11-10(12,13)20-7-3-1-2-4-8(7)21(18,19)14-6(5-15)9(16)17/h1-4,6,14-15H,5H2,(H,16,17)
InChIKeyIDMSPYIKJJCJQY-UHFFFAOYSA-N
MW329.25 g/mol
LogP0.31
Rot. Bonds6

About 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid

3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid (PubChem CID 43242373) has the molecular formula C10H10F3NO6S and a molecular weight of 329.25 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
PubChem CID43242373
Molecular FormulaC10H10F3NO6S
Molecular Weight329.25 g/mol
Exact Mass329.02
IUPAC Name3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO6S/c11-10(12,13)20-7-3-1-2-4-8(7)21(18,19)14-6(5-15)9(16)17/h1-4,6,14-15H,5H2,(H,16,17)
InChIKeyIDMSPYIKJJCJQY-UHFFFAOYSA-N
XLogP0.31
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3840083
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[(E,2R)-4-cyano-1-phenylbut-3-en-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 71269687
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid (CID 43242373) is 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid is O=C(O)C(CO)NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The InChIKey is IDMSPYIKJJCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO6S/c11-10(12,13)20-7-3-1-2-4-8(7)21(18,19)14-6(5-15)9(16)17/h1-4,6,14-15H,5H2,(H,16,17).
What are the key properties of 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid has a molecular weight of 329.25 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 43242373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).