3-chloro-2,6-dimethylbenzenesulfonyl chloride

C8H8Cl2O2S — CID 84701107

IUPAC3-chloro-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)6(2)8(5)13(10,11)12/h3-4H,1-2H3
InChIKeyPSKZNYRYAZAILC-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.88
Rot. Bonds1

About 3-chloro-2,6-dimethylbenzenesulfonyl chloride

3-chloro-2,6-dimethylbenzenesulfonyl chloride (PubChem CID 84701107) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-chloro-2,6-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2,6-dimethylbenzenesulfonyl chloride
PubChem CID84701107
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name3-chloro-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)6(2)8(5)13(10,11)12/h3-4H,1-2H3
InChIKeyPSKZNYRYAZAILC-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
CID 84810118
1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
CID 154207405
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
CID 98770479
2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
CID 82276085
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
2-methylnaphthalene-1-sulfonyl chloride
CID 18388568
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
3-formyl-2,4,6-trimethylbenzenesulfonyl chloride
CID 122216719
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2,6-dimethylbenzenesulfonyl chloride (CID 84701107) is 3-chloro-2,6-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2,6-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2,6-dimethylbenzenesulfonyl chloride is Cc1ccc(Cl)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-2,6-dimethylbenzenesulfonyl chloride?
The InChIKey is PSKZNYRYAZAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)6(2)8(5)13(10,11)12/h3-4H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethylbenzenesulfonyl chloride?
3-chloro-2,6-dimethylbenzenesulfonyl chloride has a molecular weight of 239.12 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 84701107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).