4-fluoro-2-methylbenzenesulfonyl chloride

C7H6ClFO2S — CID 2778602

IUPAC4-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3
InChIKeyXLPGWKNCWMFHOD-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.06
Rot. Bonds1

About 4-fluoro-2-methylbenzenesulfonyl chloride

4-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 2778602) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is 4-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID2778602
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name4-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3
InChIKeyXLPGWKNCWMFHOD-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-methylbenzenesulfonyl chloride (CID 2778602) is 4-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-methylbenzenesulfonyl chloride is Cc1cc(F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is XLPGWKNCWMFHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3.
What are the key properties of 4-fluoro-2-methylbenzenesulfonyl chloride?
4-fluoro-2-methylbenzenesulfonyl chloride has a molecular weight of 208.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 2778602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).