2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene

C18H14O4S2 — CID 23554017

IUPAC2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene
SMILESC=Cc1ccc(S(=O)(=O)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O4S2/c1-2-14-7-10-17(11-8-14)23(19,20)24(21,22)18-12-9-15-5-3-4-6-16(15)13-18/h2-13H,1H2
InChIKeyYCFMOFGFUNNIGH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene

2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene (PubChem CID 23554017) has the molecular formula C18H14O4S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene.

Molecular Properties

Compound Name2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene
PubChem CID23554017
Molecular FormulaC18H14O4S2
Molecular Weight358.44 g/mol
Exact Mass358.03
IUPAC Name2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene
SMILESC=Cc1ccc(S(=O)(=O)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O4S2/c1-2-14-7-10-17(11-8-14)23(19,20)24(21,22)18-12-9-15-5-3-4-6-16(15)13-18/h2-13H,1H2
InChIKeyYCFMOFGFUNNIGH-UHFFFAOYSA-N
XLogP3.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene?
The IUPAC name of 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene (CID 23554017) is 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene.
What is the SMILES notation for 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene?
The canonical SMILES for 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene is C=Cc1ccc(S(=O)(=O)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene?
The InChIKey is YCFMOFGFUNNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4S2/c1-2-14-7-10-17(11-8-14)23(19,20)24(21,22)18-12-9-15-5-3-4-6-16(15)13-18/h2-13H,1H2.
What are the key properties of 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene?
2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene has a molecular weight of 358.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene is sourced from PubChem (CID 23554017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).