ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate

C12H15NO7S — CID 110193378

IUPACethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OS(=O)(=O)NC(=O)OC)cc1
InChIInChI=1S/C12H15NO7S/c1-3-19-11(14)8-9-4-6-10(7-5-9)20-21(16,17)13-12(15)18-2/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyJJJOURSVBDPMAE-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.77
Rot. Bonds6

About ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate

ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate (PubChem CID 110193378) has the molecular formula C12H15NO7S and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate
PubChem CID110193378
Molecular FormulaC12H15NO7S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Nameethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OS(=O)(=O)NC(=O)OC)cc1
InChIInChI=1S/C12H15NO7S/c1-3-19-11(14)8-9-4-6-10(7-5-9)20-21(16,17)13-12(15)18-2/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyJJJOURSVBDPMAE-UHFFFAOYSA-N
XLogP0.77
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-(4-acetylphenoxy)sulfonylcarbamate
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CID 7937647
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate (CID 110193378) is ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate is CCOC(=O)Cc1ccc(OS(=O)(=O)NC(=O)OC)cc1.
What is the InChIKey of ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate?
The InChIKey is JJJOURSVBDPMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO7S/c1-3-19-11(14)8-9-4-6-10(7-5-9)20-21(16,17)13-12(15)18-2/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate?
ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate has a molecular weight of 317.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate is sourced from PubChem (CID 110193378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).