methyl N-(4-acetamidophenyl)sulfonylcarbamate

C10H12N2O5S — CID 607662

IUPACmethyl N-(4-acetamidophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)11-8-3-5-9(6-4-8)18(15,16)12-10(14)17-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyWYSQQGOTBXOTIB-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.69
Rot. Bonds3

About methyl N-(4-acetamidophenyl)sulfonylcarbamate

methyl N-(4-acetamidophenyl)sulfonylcarbamate (PubChem CID 607662) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl N-(4-acetamidophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-acetamidophenyl)sulfonylcarbamate
PubChem CID607662
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Namemethyl N-(4-acetamidophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)11-8-3-5-9(6-4-8)18(15,16)12-10(14)17-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyWYSQQGOTBXOTIB-UHFFFAOYSA-N
XLogP0.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-acetamidophenyl)sulfonylcarbamate?
The IUPAC name of methyl N-(4-acetamidophenyl)sulfonylcarbamate (CID 607662) is methyl N-(4-acetamidophenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-acetamidophenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-acetamidophenyl)sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl N-(4-acetamidophenyl)sulfonylcarbamate?
The InChIKey is WYSQQGOTBXOTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-7(13)11-8-3-5-9(6-4-8)18(15,16)12-10(14)17-2/h3-6H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-(4-acetamidophenyl)sulfonylcarbamate?
methyl N-(4-acetamidophenyl)sulfonylcarbamate has a molecular weight of 272.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-acetamidophenyl)sulfonylcarbamate is sourced from PubChem (CID 607662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).