1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene

C16H14O4S2 — CID 57241230

IUPAC1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene
SMILESC=CS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C=C)c2)cc1
InChIInChI=1S/C16H14O4S2/c1-3-21(17,18)15-10-8-13(9-11-15)14-6-5-7-16(12-14)22(19,20)4-2/h3-12H,1-2H2
InChIKeyCNLJOGFYOQQAPE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.19
Rot. Bonds5

About 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene

1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene (PubChem CID 57241230) has the molecular formula C16H14O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene
PubChem CID57241230
Molecular FormulaC16H14O4S2
Molecular Weight334.42 g/mol
Exact Mass334.03
IUPAC Name1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene
SMILESC=CS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C=C)c2)cc1
InChIInChI=1S/C16H14O4S2/c1-3-21(17,18)15-10-8-13(9-11-15)14-6-5-7-16(12-14)22(19,20)4-2/h3-12H,1-2H2
InChIKeyCNLJOGFYOQQAPE-UHFFFAOYSA-N
XLogP3.19
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene?
The IUPAC name of 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene (CID 57241230) is 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene.
What is the SMILES notation for 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene?
The canonical SMILES for 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene is C=CS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C=C)c2)cc1.
What is the InChIKey of 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene?
The InChIKey is CNLJOGFYOQQAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4S2/c1-3-21(17,18)15-10-8-13(9-11-15)14-6-5-7-16(12-14)22(19,20)4-2/h3-12H,1-2H2.
What are the key properties of 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene?
1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene has a molecular weight of 334.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene is sourced from PubChem (CID 57241230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).