methyl N-(4-acetylphenoxy)sulfonylcarbamate

C10H11NO6S — CID 100917262

IUPACmethyl N-(4-acetylphenoxy)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO6S/c1-7(12)8-3-5-9(6-4-8)17-18(14,15)11-10(13)16-2/h3-6H,1-2H3,(H,11,13)
InChIKeyACFJNPLOBAJHEQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.87
Rot. Bonds4

About methyl N-(4-acetylphenoxy)sulfonylcarbamate

methyl N-(4-acetylphenoxy)sulfonylcarbamate (PubChem CID 100917262) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is methyl N-(4-acetylphenoxy)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-acetylphenoxy)sulfonylcarbamate
PubChem CID100917262
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Namemethyl N-(4-acetylphenoxy)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO6S/c1-7(12)8-3-5-9(6-4-8)17-18(14,15)11-10(13)16-2/h3-6H,1-2H3,(H,11,13)
InChIKeyACFJNPLOBAJHEQ-UHFFFAOYSA-N
XLogP0.87
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-acetylphenoxy)sulfonylcarbamate?
The IUPAC name of methyl N-(4-acetylphenoxy)sulfonylcarbamate (CID 100917262) is methyl N-(4-acetylphenoxy)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-acetylphenoxy)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-acetylphenoxy)sulfonylcarbamate is COC(=O)NS(=O)(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl N-(4-acetylphenoxy)sulfonylcarbamate?
The InChIKey is ACFJNPLOBAJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-7(12)8-3-5-9(6-4-8)17-18(14,15)11-10(13)16-2/h3-6H,1-2H3,(H,11,13).
What are the key properties of methyl N-(4-acetylphenoxy)sulfonylcarbamate?
methyl N-(4-acetylphenoxy)sulfonylcarbamate has a molecular weight of 273.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-acetylphenoxy)sulfonylcarbamate is sourced from PubChem (CID 100917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).