2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid

C9H9F2NO5S — CID 63745528

IUPAC2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H9F2NO5S/c10-9(11)18(15,16)12-6-3-1-2-4-7(6)17-5-8(13)14/h1-4,9,12H,5H2,(H,13,14)
InChIKeyQSZZNCVVIRPEJC-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.11
Rot. Bonds6

About 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid

2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid (PubChem CID 63745528) has the molecular formula C9H9F2NO5S and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
PubChem CID63745528
Molecular FormulaC9H9F2NO5S
Molecular Weight281.24 g/mol
Exact Mass281.02
IUPAC Name2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H9F2NO5S/c10-9(11)18(15,16)12-6-3-1-2-4-7(6)17-5-8(13)14/h1-4,9,12H,5H2,(H,13,14)
InChIKeyQSZZNCVVIRPEJC-UHFFFAOYSA-N
XLogP1.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
CID 114462681
2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
CID 114806162
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
N-[2-(chloromethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 65030893
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid (CID 63745528) is 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid?
The InChIKey is QSZZNCVVIRPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO5S/c10-9(11)18(15,16)12-6-3-1-2-4-7(6)17-5-8(13)14/h1-4,9,12H,5H2,(H,13,14).
What are the key properties of 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid?
2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid has a molecular weight of 281.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63745528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).