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

C15H16N2O5S — CID 893921

IUPACmethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-15(18)11-22-13-2-4-14(5-3-13)23(19,20)17-10-12-6-8-16-9-7-12/h2-9,17H,10-11H2,1H3
InChIKeyKWOPGQHDAHERLP-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.11
Rot. Bonds7

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

methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 893921) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID893921
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-15(18)11-22-13-2-4-14(5-3-13)23(19,20)17-10-12-6-8-16-9-7-12/h2-9,17H,10-11H2,1H3
InChIKeyKWOPGQHDAHERLP-UHFFFAOYSA-N
XLogP1.11
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate (CID 893921) is methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is KWOPGQHDAHERLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-15(18)11-22-13-2-4-14(5-3-13)23(19,20)17-10-12-6-8-16-9-7-12/h2-9,17H,10-11H2,1H3.
What are the key properties of methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 336.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 893921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).