2-(benzenesulfonyl)ethenimine

C8H7NO2S — CID 15530554

IUPAC2-(benzenesulfonyl)ethenimine
SMILESN=C=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5,7,9H
InChIKeyONRCLGXROGTVJK-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.22
Rot. Bonds2

About 2-(benzenesulfonyl)ethenimine

2-(benzenesulfonyl)ethenimine (PubChem CID 15530554) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethenimine.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethenimine
PubChem CID15530554
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2-(benzenesulfonyl)ethenimine
SMILESN=C=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5,7,9H
InChIKeyONRCLGXROGTVJK-UHFFFAOYSA-N
XLogP1.22
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethenimine?
The IUPAC name of 2-(benzenesulfonyl)ethenimine (CID 15530554) is 2-(benzenesulfonyl)ethenimine.
What is the SMILES notation for 2-(benzenesulfonyl)ethenimine?
The canonical SMILES for 2-(benzenesulfonyl)ethenimine is N=C=CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethenimine?
The InChIKey is ONRCLGXROGTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5,7,9H.
What are the key properties of 2-(benzenesulfonyl)ethenimine?
2-(benzenesulfonyl)ethenimine has a molecular weight of 181.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethenimine is sourced from PubChem (CID 15530554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).