4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride

C7H5Cl2FO2S — CID 84801879

IUPAC4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyWQKIQHXRAOTANN-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride

4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 84801879) has the molecular formula C7H5Cl2FO2S and a molecular weight of 243.09 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID84801879
Molecular FormulaC7H5Cl2FO2S
Molecular Weight243.09 g/mol
Exact Mass241.94
IUPAC Name4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyWQKIQHXRAOTANN-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride (CID 84801879) is 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride is Cc1cc(Cl)c(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is WQKIQHXRAOTANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3.
What are the key properties of 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride?
4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride has a molecular weight of 243.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84801879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).