2-methoxyethenylsulfonylbenzene

C9H10O3S — CID 555277

IUPAC2-methoxyethenylsulfonylbenzene
SMILESCOC=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-12-7-8-13(10,11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDOROETGXWDWAGF-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.58
Rot. Bonds3

About 2-methoxyethenylsulfonylbenzene

2-methoxyethenylsulfonylbenzene (PubChem CID 555277) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-methoxyethenylsulfonylbenzene.

Molecular Properties

Compound Name2-methoxyethenylsulfonylbenzene
PubChem CID555277
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-methoxyethenylsulfonylbenzene
SMILESCOC=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-12-7-8-13(10,11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDOROETGXWDWAGF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethenylsulfonylbenzene?
The IUPAC name of 2-methoxyethenylsulfonylbenzene (CID 555277) is 2-methoxyethenylsulfonylbenzene.
What is the SMILES notation for 2-methoxyethenylsulfonylbenzene?
The canonical SMILES for 2-methoxyethenylsulfonylbenzene is COC=CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-methoxyethenylsulfonylbenzene?
The InChIKey is DOROETGXWDWAGF-UHFFFAOYSA-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.
What are the key properties of 2-methoxyethenylsulfonylbenzene?
2-methoxyethenylsulfonylbenzene 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 2-methoxyethenylsulfonylbenzene is sourced from PubChem (CID 555277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).