ethyl 2-(4-sulfamoylphenoxy)propanoate

C11H15NO5S — CID 2725665

IUPACethyl 2-(4-sulfamoylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15NO5S/c1-3-16-11(13)8(2)17-9-4-6-10(7-5-9)18(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyOQLHMWMBUZFIGX-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.66
Rot. Bonds5

About ethyl 2-(4-sulfamoylphenoxy)propanoate

ethyl 2-(4-sulfamoylphenoxy)propanoate (PubChem CID 2725665) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-(4-sulfamoylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-sulfamoylphenoxy)propanoate
PubChem CID2725665
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Nameethyl 2-(4-sulfamoylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15NO5S/c1-3-16-11(13)8(2)17-9-4-6-10(7-5-9)18(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyOQLHMWMBUZFIGX-UHFFFAOYSA-N
XLogP0.66
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-sulfamoylphenoxy)propanoate?
The IUPAC name of ethyl 2-(4-sulfamoylphenoxy)propanoate (CID 2725665) is ethyl 2-(4-sulfamoylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(4-sulfamoylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(4-sulfamoylphenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl 2-(4-sulfamoylphenoxy)propanoate?
The InChIKey is OQLHMWMBUZFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-16-11(13)8(2)17-9-4-6-10(7-5-9)18(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of ethyl 2-(4-sulfamoylphenoxy)propanoate?
ethyl 2-(4-sulfamoylphenoxy)propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-sulfamoylphenoxy)propanoate is sourced from PubChem (CID 2725665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).