2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid

C11H12F3NO5S — CID 79469043

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO5S/c12-11(13,14)8-3-1-2-4-9(8)21(18,19)15-5-6-20-7-10(16)17/h1-4,15H,5-7H2,(H,16,17)
InChIKeyYPUXRGOOSGSOIO-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid

2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid (PubChem CID 79469043) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
PubChem CID79469043
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO5S/c12-11(13,14)8-3-1-2-4-9(8)21(18,19)15-5-6-20-7-10(16)17/h1-4,15H,5-7H2,(H,16,17)
InChIKeyYPUXRGOOSGSOIO-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid (CID 79469043) is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid is O=C(O)COCCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid?
The InChIKey is YPUXRGOOSGSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c12-11(13,14)8-3-1-2-4-9(8)21(18,19)15-5-6-20-7-10(16)17/h1-4,15H,5-7H2,(H,16,17).
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid?
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid has a molecular weight of 327.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79469043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).