1,4-bis(2-ethylsulfonylethenyl)benzene

C14H18O4S2 — CID 57028343

IUPAC1,4-bis(2-ethylsulfonylethenyl)benzene
SMILESCCS(=O)(=O)C=Cc1ccc(C=CS(=O)(=O)CC)cc1
InChIInChI=1S/C14H18O4S2/c1-3-19(15,16)11-9-13-5-7-14(8-6-13)10-12-20(17,18)4-2/h5-12H,3-4H2,1-2H3
InChIKeyWQGCGRZCVYIJMR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.50
Rot. Bonds6

About 1,4-bis(2-ethylsulfonylethenyl)benzene

1,4-bis(2-ethylsulfonylethenyl)benzene (PubChem CID 57028343) has the molecular formula C14H18O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,4-bis(2-ethylsulfonylethenyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-ethylsulfonylethenyl)benzene
PubChem CID57028343
Molecular FormulaC14H18O4S2
Molecular Weight314.43 g/mol
Exact Mass314.06
IUPAC Name1,4-bis(2-ethylsulfonylethenyl)benzene
SMILESCCS(=O)(=O)C=Cc1ccc(C=CS(=O)(=O)CC)cc1
InChIInChI=1S/C14H18O4S2/c1-3-19(15,16)11-9-13-5-7-14(8-6-13)10-12-20(17,18)4-2/h5-12H,3-4H2,1-2H3
InChIKeyWQGCGRZCVYIJMR-UHFFFAOYSA-N
XLogP2.50
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-ethylsulfonylethenyl)benzene?
The IUPAC name of 1,4-bis(2-ethylsulfonylethenyl)benzene (CID 57028343) is 1,4-bis(2-ethylsulfonylethenyl)benzene.
What is the SMILES notation for 1,4-bis(2-ethylsulfonylethenyl)benzene?
The canonical SMILES for 1,4-bis(2-ethylsulfonylethenyl)benzene is CCS(=O)(=O)C=Cc1ccc(C=CS(=O)(=O)CC)cc1.
What is the InChIKey of 1,4-bis(2-ethylsulfonylethenyl)benzene?
The InChIKey is WQGCGRZCVYIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S2/c1-3-19(15,16)11-9-13-5-7-14(8-6-13)10-12-20(17,18)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,4-bis(2-ethylsulfonylethenyl)benzene?
1,4-bis(2-ethylsulfonylethenyl)benzene has a molecular weight of 314.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-ethylsulfonylethenyl)benzene is sourced from PubChem (CID 57028343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).