2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid

C10H11F2NO5S — CID 115405544

IUPAC2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC(F)F)cc1
InChIInChI=1S/C10H11F2NO5S/c11-9(12)5-13-19(16,17)8-3-1-7(2-4-8)18-6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyROFPREHZJRFCND-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.69
Rot. Bonds7

About 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid

2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid (PubChem CID 115405544) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
PubChem CID115405544
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC(F)F)cc1
InChIInChI=1S/C10H11F2NO5S/c11-9(12)5-13-19(16,17)8-3-1-7(2-4-8)18-6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyROFPREHZJRFCND-UHFFFAOYSA-N
XLogP0.69
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
CID 104656122
2-[4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenoxy]acetic acid
CID 63964634
2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
CID 106168686
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
2-[4-(pent-4-ynylsulfamoyl)phenoxy]acetic acid
CID 106220067
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
CID 104827593
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
(E)-3-[4-(2,2-difluoroethylsulfamoyl)phenyl]prop-2-enoic acid
CID 115405541
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]phenoxy]acetic acid
CID 79236547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid (CID 115405544) is 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCC(F)F)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid?
The InChIKey is ROFPREHZJRFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c11-9(12)5-13-19(16,17)8-3-1-7(2-4-8)18-6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid?
2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid has a molecular weight of 295.26 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 115405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).