2-ethenylbenzenesulfonyl fluoride

C8H7FO2S — CID 19936970

IUPAC2-ethenylbenzenesulfonyl fluoride
SMILESC=Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2
InChIKeyAMDQDAUBUBCWII-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.99
Rot. Bonds2

About 2-ethenylbenzenesulfonyl fluoride

2-ethenylbenzenesulfonyl fluoride (PubChem CID 19936970) has the molecular formula C8H7FO2S and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-ethenylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-ethenylbenzenesulfonyl fluoride
PubChem CID19936970
Molecular FormulaC8H7FO2S
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name2-ethenylbenzenesulfonyl fluoride
SMILESC=Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2
InChIKeyAMDQDAUBUBCWII-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylbenzenesulfonyl fluoride?
The IUPAC name of 2-ethenylbenzenesulfonyl fluoride (CID 19936970) is 2-ethenylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-ethenylbenzenesulfonyl fluoride?
The canonical SMILES for 2-ethenylbenzenesulfonyl fluoride is C=Cc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-ethenylbenzenesulfonyl fluoride?
The InChIKey is AMDQDAUBUBCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2.
What are the key properties of 2-ethenylbenzenesulfonyl fluoride?
2-ethenylbenzenesulfonyl fluoride has a molecular weight of 186.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylbenzenesulfonyl fluoride is sourced from PubChem (CID 19936970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).