2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride

C8H8ClFO3S — CID 84700842

IUPAC2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-6(10)8(14(9,11)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeySNGKHHHTHDLWIK-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.07
Rot. Bonds2

About 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride

2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride (PubChem CID 84700842) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride
PubChem CID84700842
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-6(10)8(14(9,11)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeySNGKHHHTHDLWIK-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride (CID 84700842) is 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride is COc1cc(C)cc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride?
The InChIKey is SNGKHHHTHDLWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-3-6(10)8(14(9,11)12)7(4-5)13-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride?
2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84700842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).