[(E)-2-ethoxyethenyl]sulfonylbenzene

C10H12O3S — CID 13177777

IUPAC[(E)-2-ethoxyethenyl]sulfonylbenzene
SMILESCCO/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-13-8-9-14(11,12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyNUJQBFXHWKWLAL-CMDGGOBGSA-N
MW212.27 g/mol
LogP1.97
Rot. Bonds4

About [(E)-2-ethoxyethenyl]sulfonylbenzene

[(E)-2-ethoxyethenyl]sulfonylbenzene (PubChem CID 13177777) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is [(E)-2-ethoxyethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-ethoxyethenyl]sulfonylbenzene
PubChem CID13177777
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name[(E)-2-ethoxyethenyl]sulfonylbenzene
SMILESCCO/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-13-8-9-14(11,12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyNUJQBFXHWKWLAL-CMDGGOBGSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxyethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-ethoxyethenyl]sulfonylbenzene (CID 13177777) is [(E)-2-ethoxyethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-ethoxyethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-ethoxyethenyl]sulfonylbenzene is CCO/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-ethoxyethenyl]sulfonylbenzene?
The InChIKey is NUJQBFXHWKWLAL-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-13-8-9-14(11,12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+.
What are the key properties of [(E)-2-ethoxyethenyl]sulfonylbenzene?
[(E)-2-ethoxyethenyl]sulfonylbenzene has a molecular weight of 212.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxyethenyl]sulfonylbenzene is sourced from PubChem (CID 13177777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).