2-(benzenesulfonyl)ethanimine

C8H9NO2S — CID 54341548

IUPAC2-(benzenesulfonyl)ethanimine
SMILES[H]/N=C/CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-6,9H,7H2/b9-6+
InChIKeyTZHPHIJYRYMQRT-RMKNXTFCSA-N
MW183.23 g/mol
LogP1.11
Rot. Bonds3

About 2-(benzenesulfonyl)ethanimine

2-(benzenesulfonyl)ethanimine (PubChem CID 54341548) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethanimine.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethanimine
PubChem CID54341548
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(benzenesulfonyl)ethanimine
SMILES[H]/N=C/CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-6,9H,7H2/b9-6+
InChIKeyTZHPHIJYRYMQRT-RMKNXTFCSA-N
XLogP1.11
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.11
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)ethanimine?
The IUPAC name of 2-(benzenesulfonyl)ethanimine (CID 54341548) is 2-(benzenesulfonyl)ethanimine.
What is the SMILES notation for 2-(benzenesulfonyl)ethanimine?
The canonical SMILES for 2-(benzenesulfonyl)ethanimine is [H]/N=C/CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethanimine?
The InChIKey is TZHPHIJYRYMQRT-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-6,9H,7H2/b9-6+.
What are the key properties of 2-(benzenesulfonyl)ethanimine?
2-(benzenesulfonyl)ethanimine has a molecular weight of 183.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethanimine is sourced from PubChem (CID 54341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).