benzyl N-sulfamoyloxycarbamate

C8H10N2O5S — CID 122187596

IUPACbenzyl N-sulfamoyloxycarbamate
SMILESNS(=O)(=O)ONC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
InChIKeyGUJZEGLJDZAUGK-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.05
Rot. Bonds4

About benzyl N-sulfamoyloxycarbamate

benzyl N-sulfamoyloxycarbamate (PubChem CID 122187596) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is benzyl N-sulfamoyloxycarbamate.

Molecular Properties

Compound Namebenzyl N-sulfamoyloxycarbamate
PubChem CID122187596
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Namebenzyl N-sulfamoyloxycarbamate
SMILESNS(=O)(=O)ONC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
InChIKeyGUJZEGLJDZAUGK-UHFFFAOYSA-N
XLogP0.05
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-sulfamoyloxycarbamate?
The IUPAC name of benzyl N-sulfamoyloxycarbamate (CID 122187596) is benzyl N-sulfamoyloxycarbamate.
What is the SMILES notation for benzyl N-sulfamoyloxycarbamate?
The canonical SMILES for benzyl N-sulfamoyloxycarbamate is NS(=O)(=O)ONC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-sulfamoyloxycarbamate?
The InChIKey is GUJZEGLJDZAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13).
What are the key properties of benzyl N-sulfamoyloxycarbamate?
benzyl N-sulfamoyloxycarbamate has a molecular weight of 246.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-sulfamoyloxycarbamate is sourced from PubChem (CID 122187596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).