methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate

C14H14FNO6S — CID 100815512

IUPACmethyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F
InChIInChI=1S/C14H14FNO6S/c1-20-14(17)9-22-13-5-4-11(7-12(13)15)23(18,19)16-8-10-3-2-6-21-10/h2-7,16H,8-9H2,1H3
InChIKeyIABJYSVBVVBTSG-UHFFFAOYSA-N
MW343.33 g/mol
LogP1.45
Rot. Bonds7

About methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate

methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 100815512) has the molecular formula C14H14FNO6S and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID100815512
Molecular FormulaC14H14FNO6S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Namemethyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F
InChIInChI=1S/C14H14FNO6S/c1-20-14(17)9-22-13-5-4-11(7-12(13)15)23(18,19)16-8-10-3-2-6-21-10/h2-7,16H,8-9H2,1H3
InChIKeyIABJYSVBVVBTSG-UHFFFAOYSA-N
XLogP1.45
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (CID 100815512) is methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F.
What is the InChIKey of methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is IABJYSVBVVBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO6S/c1-20-14(17)9-22-13-5-4-11(7-12(13)15)23(18,19)16-8-10-3-2-6-21-10/h2-7,16H,8-9H2,1H3.
What are the key properties of methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 343.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 100815512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).