1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene

C17H18O6S2 — CID 88658723

IUPAC1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene
SMILESCCO/C=C(\S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18O6S2/c1-3-23-13-17(24(18,19)15-9-5-4-6-10-15)25(20,21)16-11-7-8-14(12-16)22-2/h4-13H,3H2,1-2H3/b17-13+
InChIKeyXGFZVUXFPALUCI-GHRIWEEISA-N
MW382.46 g/mol
LogP2.78
Rot. Bonds7

About 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene

1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene (PubChem CID 88658723) has the molecular formula C17H18O6S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene
PubChem CID88658723
Molecular FormulaC17H18O6S2
Molecular Weight382.46 g/mol
Exact Mass382.05
IUPAC Name1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene
SMILESCCO/C=C(\S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18O6S2/c1-3-23-13-17(24(18,19)15-9-5-4-6-10-15)25(20,21)16-11-7-8-14(12-16)22-2/h4-13H,3H2,1-2H3/b17-13+
InChIKeyXGFZVUXFPALUCI-GHRIWEEISA-N
XLogP2.78
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene?
The IUPAC name of 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene (CID 88658723) is 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene?
The canonical SMILES for 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene is CCO/C=C(\S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene?
The InChIKey is XGFZVUXFPALUCI-GHRIWEEISA-N. The full InChI is InChI=1S/C17H18O6S2/c1-3-23-13-17(24(18,19)15-9-5-4-6-10-15)25(20,21)16-11-7-8-14(12-16)22-2/h4-13H,3H2,1-2H3/b17-13+.
What are the key properties of 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene?
1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene has a molecular weight of 382.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-3-methoxybenzene is sourced from PubChem (CID 88658723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).