1-chloro-4-ethenylsulfonylbenzene

C8H7ClO2S — CID 21703

IUPAC1-chloro-4-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyIBJGVAOFRSKZPY-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.26
Rot. Bonds2

About 1-chloro-4-ethenylsulfonylbenzene

1-chloro-4-ethenylsulfonylbenzene (PubChem CID 21703) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-4-ethenylsulfonylbenzene.

Molecular Properties

Compound Name1-chloro-4-ethenylsulfonylbenzene
PubChem CID21703
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name1-chloro-4-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyIBJGVAOFRSKZPY-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylsulfonylbenzene?
The IUPAC name of 1-chloro-4-ethenylsulfonylbenzene (CID 21703) is 1-chloro-4-ethenylsulfonylbenzene.
What is the SMILES notation for 1-chloro-4-ethenylsulfonylbenzene?
The canonical SMILES for 1-chloro-4-ethenylsulfonylbenzene is C=CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-ethenylsulfonylbenzene?
The InChIKey is IBJGVAOFRSKZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2.
What are the key properties of 1-chloro-4-ethenylsulfonylbenzene?
1-chloro-4-ethenylsulfonylbenzene has a molecular weight of 202.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylsulfonylbenzene is sourced from PubChem (CID 21703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).