(2,6-dimethylphenyl)methanesulfonyl chloride

C9H11ClO2S — CID 11218255

IUPAC(2,6-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cccc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3
InChIKeySLVJLZHMCFBLKO-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.37
Rot. Bonds2

About (2,6-dimethylphenyl)methanesulfonyl chloride

(2,6-dimethylphenyl)methanesulfonyl chloride (PubChem CID 11218255) has the molecular formula C9H11ClO2S and a molecular weight of 218.71 g/mol. Its IUPAC name is (2,6-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,6-dimethylphenyl)methanesulfonyl chloride
PubChem CID11218255
Molecular FormulaC9H11ClO2S
Molecular Weight218.71 g/mol
Exact Mass218.02
IUPAC Name(2,6-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cccc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3
InChIKeySLVJLZHMCFBLKO-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethanesulfonyl chloride
CID 74740
alpha-(Methylsulphonyl)toluene
CID 76562
Potassium Xylenesulfonate
CID 23689308
Benzeneethanesulfonamide
CID 204808
((1E)-2-(Methylsulfonyl)ethenyl)benzene
CID 5369327
3-Phenylpropane-1-sulfonamide
CID 12574638
(E)-2-phenylethene-1-sulfonyl chloride
CID 5369377
3-Phenylpropane-1-sulfonyl fluoride
CID 25017076
7-Phenylheptane-1-sulfonyl fluoride
CID 25017077
8-Phenyloctane-1-sulfonyl fluoride
CID 25017078
4-Phenylbutane-1-sulfonyl fluoride
CID 71452049
3-Phenyl-2,3-dihydrothiophene 1,1-dioxide
CID 282950

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (2,6-dimethylphenyl)methanesulfonyl chloride (CID 11218255) is (2,6-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2,6-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2,6-dimethylphenyl)methanesulfonyl chloride is Cc1cccc(C)c1CS(=O)(=O)Cl.
What is the InChIKey of (2,6-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is SLVJLZHMCFBLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl)methanesulfonyl chloride?
(2,6-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 218.71 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 11218255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).