4-ethenylsulfonylbenzonitrile

C9H7NO2S — CID 23466485

IUPAC4-ethenylsulfonylbenzonitrile
SMILESC=CS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H7NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h2-6H,1H2
InChIKeyWOZYEFAAGSUPPO-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.48
Rot. Bonds2

About 4-ethenylsulfonylbenzonitrile

4-ethenylsulfonylbenzonitrile (PubChem CID 23466485) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-ethenylsulfonylbenzonitrile.

Molecular Properties

Compound Name4-ethenylsulfonylbenzonitrile
PubChem CID23466485
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name4-ethenylsulfonylbenzonitrile
SMILESC=CS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H7NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h2-6H,1H2
InChIKeyWOZYEFAAGSUPPO-UHFFFAOYSA-N
XLogP1.48
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonylbenzonitrile?
The IUPAC name of 4-ethenylsulfonylbenzonitrile (CID 23466485) is 4-ethenylsulfonylbenzonitrile.
What is the SMILES notation for 4-ethenylsulfonylbenzonitrile?
The canonical SMILES for 4-ethenylsulfonylbenzonitrile is C=CS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-ethenylsulfonylbenzonitrile?
The InChIKey is WOZYEFAAGSUPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h2-6H,1H2.
What are the key properties of 4-ethenylsulfonylbenzonitrile?
4-ethenylsulfonylbenzonitrile has a molecular weight of 193.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonylbenzonitrile is sourced from PubChem (CID 23466485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).