2-(2-fluorophenyl)ethanesulfonyl chloride

C8H8ClFO2S — CID 2759096

IUPAC2-(2-fluorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1F
InChIInChI=1S/C8H8ClFO2S/c9-13(11,12)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyXKGTZBGUSUFCHC-UHFFFAOYSA-N
MW222.67 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-fluorophenyl)ethanesulfonyl chloride

2-(2-fluorophenyl)ethanesulfonyl chloride (PubChem CID 2759096) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethanesulfonyl chloride
PubChem CID2759096
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name2-(2-fluorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1F
InChIInChI=1S/C8H8ClFO2S/c9-13(11,12)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyXKGTZBGUSUFCHC-UHFFFAOYSA-N
XLogP1.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
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CID 70057472
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CID 58691927
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-fluorophenyl)ethanesulfonyl chloride (CID 2759096) is 2-(2-fluorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-fluorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-fluorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)ethanesulfonyl chloride?
The InChIKey is XKGTZBGUSUFCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c9-13(11,12)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2.
What are the key properties of 2-(2-fluorophenyl)ethanesulfonyl chloride?
2-(2-fluorophenyl)ethanesulfonyl chloride has a molecular weight of 222.67 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 2759096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).