(2-fluorophenyl)methanesulfonyl chloride

C7H6ClFO2S — CID 573052

IUPAC(2-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccc1F
InChIInChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyCJDWSUDXKHLMCY-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.89
Rot. Bonds2

About (2-fluorophenyl)methanesulfonyl chloride

(2-fluorophenyl)methanesulfonyl chloride (PubChem CID 573052) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is (2-fluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-fluorophenyl)methanesulfonyl chloride
PubChem CID573052
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name(2-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccc1F
InChIInChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyCJDWSUDXKHLMCY-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methanesulfonyl chloride?
The IUPAC name of (2-fluorophenyl)methanesulfonyl chloride (CID 573052) is (2-fluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-fluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (2-fluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methanesulfonyl chloride?
The InChIKey is CJDWSUDXKHLMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h1-4H,5H2.
What are the key properties of (2-fluorophenyl)methanesulfonyl chloride?
(2-fluorophenyl)methanesulfonyl chloride has a molecular weight of 208.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).