[(E)-2-methoxyethenyl]sulfonylbenzene

C9H10O3S — CID 5367013

IUPAC[(E)-2-methoxyethenyl]sulfonylbenzene
SMILESCO/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-12-7-8-13(10,11)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyDOROETGXWDWAGF-BQYQJAHWSA-N
MW198.24 g/mol
LogP1.58
Rot. Bonds3

About [(E)-2-methoxyethenyl]sulfonylbenzene

[(E)-2-methoxyethenyl]sulfonylbenzene (PubChem CID 5367013) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is [(E)-2-methoxyethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-methoxyethenyl]sulfonylbenzene
PubChem CID5367013
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name[(E)-2-methoxyethenyl]sulfonylbenzene
SMILESCO/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-12-7-8-13(10,11)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyDOROETGXWDWAGF-BQYQJAHWSA-N
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.58
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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Related Compounds

Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
Ethyl benzenesulfonate
CID 10585
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl 2-(phenylsulfinyl)acetate
CID 84191
(Ethylsulphonyl)benzene
CID 69032
Propyl benzenesulfonate
CID 220447
Butyl phenyl sulfone
CID 238507
Methyl phenylsulfonyl acetate
CID 555619
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
CID 2831158

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methoxyethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-methoxyethenyl]sulfonylbenzene (CID 5367013) is [(E)-2-methoxyethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-methoxyethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-methoxyethenyl]sulfonylbenzene is CO/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-methoxyethenyl]sulfonylbenzene?
The InChIKey is DOROETGXWDWAGF-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10O3S/c1-12-7-8-13(10,11)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+.
What are the key properties of [(E)-2-methoxyethenyl]sulfonylbenzene?
[(E)-2-methoxyethenyl]sulfonylbenzene has a molecular weight of 198.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methoxyethenyl]sulfonylbenzene is sourced from PubChem (CID 5367013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).