1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene

C16H14O5S2 — CID 647878

IUPAC1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
SMILESC=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1
InChIInChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2
InChIKeyDIBWMHKTLMPOSU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds6

About 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene

1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene (PubChem CID 647878) has the molecular formula C16H14O5S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
PubChem CID647878
Molecular FormulaC16H14O5S2
Molecular Weight350.42 g/mol
Exact Mass350.03
IUPAC Name1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
SMILESC=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1
InChIInChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2
InChIKeyDIBWMHKTLMPOSU-UHFFFAOYSA-N
XLogP3.31
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene?
The IUPAC name of 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene (CID 647878) is 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene.
What is the SMILES notation for 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene?
The canonical SMILES for 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene is C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1.
What is the InChIKey of 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene?
The InChIKey is DIBWMHKTLMPOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2.
What are the key properties of 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene?
1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene has a molecular weight of 350.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene is sourced from PubChem (CID 647878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).