2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid

C17H15NO6S — CID 15908539

IUPAC2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(CNS(=O)(=O)c3ccccc3)coc12
InChIInChI=1S/C17H15NO6S/c19-16(20)11-23-15-8-4-7-14-12(10-24-17(14)15)9-18-25(21,22)13-5-2-1-3-6-13/h1-8,10,18H,9,11H2,(H,19,20)
InChIKeyVOAHUCCCNIKHHK-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.37
Rot. Bonds7

About 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid

2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid (PubChem CID 15908539) has the molecular formula C17H15NO6S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
PubChem CID15908539
Molecular FormulaC17H15NO6S
Molecular Weight361.38 g/mol
Exact Mass361.06
IUPAC Name2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(CNS(=O)(=O)c3ccccc3)coc12
InChIInChI=1S/C17H15NO6S/c19-16(20)11-23-15-8-4-7-14-12(10-24-17(14)15)9-18-25(21,22)13-5-2-1-3-6-13/h1-8,10,18H,9,11H2,(H,19,20)
InChIKeyVOAHUCCCNIKHHK-UHFFFAOYSA-N
XLogP2.37
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(5-phenylpentylsulfonylamino)methyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15908540
2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15463516
2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351711
2-[[3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351575
2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351719
2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid
CID 57109163
2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 18351667
2-[[3-(2-benzhydryloxypropoxymethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351725
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 11201693
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[[3-[2-(3,3-diphenylpropoxysulfinylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 20708312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid (CID 15908539) is 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid is O=C(O)COc1cccc2c(CNS(=O)(=O)c3ccccc3)coc12.
What is the InChIKey of 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid?
The InChIKey is VOAHUCCCNIKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S/c19-16(20)11-23-15-8-4-7-14-12(10-24-17(14)15)9-18-25(21,22)13-5-2-1-3-6-13/h1-8,10,18H,9,11H2,(H,19,20).
What are the key properties of 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid?
2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid has a molecular weight of 361.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid is sourced from PubChem (CID 15908539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).