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

C14H15NO6S — CID 893294

IUPACmethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO6S/c1-19-14(16)10-21-11-4-6-13(7-5-11)22(17,18)15-9-12-3-2-8-20-12/h2-8,15H,9-10H2,1H3
InChIKeyTXDYDNIYLGZAIM-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.31
Rot. Bonds7

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

methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 893294) has the molecular formula C14H15NO6S and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID893294
Molecular FormulaC14H15NO6S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Namemethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO6S/c1-19-14(16)10-21-11-4-6-13(7-5-11)22(17,18)15-9-12-3-2-8-20-12/h2-8,15H,9-10H2,1H3
InChIKeyTXDYDNIYLGZAIM-UHFFFAOYSA-N
XLogP1.31
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (CID 893294) is methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is TXDYDNIYLGZAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6S/c1-19-14(16)10-21-11-4-6-13(7-5-11)22(17,18)15-9-12-3-2-8-20-12/h2-8,15H,9-10H2,1H3.
What are the key properties of methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 325.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).