2-chloro-6-methylbenzenesulfonyl chloride

C7H6Cl2O2S — CID 15725370

IUPAC2-chloro-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyFJVZVTWCAGCLCS-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.58
Rot. Bonds1

About 2-chloro-6-methylbenzenesulfonyl chloride

2-chloro-6-methylbenzenesulfonyl chloride (PubChem CID 15725370) has the molecular formula C7H6Cl2O2S and a molecular weight of 225.10 g/mol. Its IUPAC name is 2-chloro-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-6-methylbenzenesulfonyl chloride
PubChem CID15725370
Molecular FormulaC7H6Cl2O2S
Molecular Weight225.10 g/mol
Exact Mass223.95
IUPAC Name2-chloro-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyFJVZVTWCAGCLCS-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.58
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 chloride?
The IUPAC name of 2-chloro-6-methylbenzenesulfonyl chloride (CID 15725370) is 2-chloro-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-6-methylbenzenesulfonyl chloride is Cc1cccc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-6-methylbenzenesulfonyl chloride?
The InChIKey is FJVZVTWCAGCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2S/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 chloride?
2-chloro-6-methylbenzenesulfonyl chloride has a molecular weight of 225.10 g/mol, XLogP of 2.58, 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 chloride is sourced from PubChem (CID 15725370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).