2-fluoro-6-methylbenzenesulfonyl chloride

C7H6ClFO2S — CID 22910460

IUPAC2-fluoro-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(9)7(5)12(8,10)11/h2-4H,1H3
InChIKeyJFMJQYFCCNCOKQ-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.06
Rot. Bonds1

About 2-fluoro-6-methylbenzenesulfonyl chloride

2-fluoro-6-methylbenzenesulfonyl chloride (PubChem CID 22910460) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-fluoro-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-6-methylbenzenesulfonyl chloride
PubChem CID22910460
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name2-fluoro-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(9)7(5)12(8,10)11/h2-4H,1H3
InChIKeyJFMJQYFCCNCOKQ-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 2-fluoro-6-methylbenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-6-methylbenzenesulfonyl chloride (CID 22910460) is 2-fluoro-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-6-methylbenzenesulfonyl chloride is Cc1cccc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-fluoro-6-methylbenzenesulfonyl chloride?
The InChIKey is JFMJQYFCCNCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(9)7(5)12(8,10)11/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methylbenzenesulfonyl chloride?
2-fluoro-6-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 2-fluoro-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 22910460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).