2-chloro-6-methylbenzenesulfonyl fluoride

C7H6ClFO2S — CID 57430800

IUPAC2-chloro-6-methylbenzenesulfonyl fluoride
SMILESCc1cccc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyJFPGTYVBZNNIIH-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-6-methylbenzenesulfonyl fluoride

2-chloro-6-methylbenzenesulfonyl fluoride (PubChem CID 57430800) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-chloro-6-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-chloro-6-methylbenzenesulfonyl fluoride
PubChem CID57430800
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name2-chloro-6-methylbenzenesulfonyl fluoride
SMILESCc1cccc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyJFPGTYVBZNNIIH-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylbenzenesulfonyl fluoride?
The IUPAC name of 2-chloro-6-methylbenzenesulfonyl fluoride (CID 57430800) is 2-chloro-6-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-chloro-6-methylbenzenesulfonyl fluoride?
The canonical SMILES for 2-chloro-6-methylbenzenesulfonyl fluoride is Cc1cccc(Cl)c1S(=O)(=O)F.
What is the InChIKey of 2-chloro-6-methylbenzenesulfonyl fluoride?
The InChIKey is JFPGTYVBZNNIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3.
What are the key properties of 2-chloro-6-methylbenzenesulfonyl fluoride?
2-chloro-6-methylbenzenesulfonyl fluoride has a molecular weight of 208.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 57430800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).