3-chloro-2-methylbenzenesulfonyl chloride

C7H6Cl2O2S — CID 522734

IUPAC3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChIKeyZSIYKAQPQRTBPF-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.58
Rot. Bonds1

About 3-chloro-2-methylbenzenesulfonyl chloride

3-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 522734) has the molecular formula C7H6Cl2O2S and a molecular weight of 225.10 g/mol. Its IUPAC name is 3-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-methylbenzenesulfonyl chloride
PubChem CID522734
Molecular FormulaC7H6Cl2O2S
Molecular Weight225.10 g/mol
Exact Mass223.95
IUPAC Name3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChIKeyZSIYKAQPQRTBPF-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 3-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-methylbenzenesulfonyl chloride (CID 522734) is 3-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-methylbenzenesulfonyl chloride is Cc1c(Cl)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is ZSIYKAQPQRTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3.
What are the key properties of 3-chloro-2-methylbenzenesulfonyl chloride?
3-chloro-2-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 3-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 522734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).