2,6-dichloro-3-methylbenzenesulfonyl chloride

C7H5Cl3O2S — CID 16769922

IUPAC2,6-dichloro-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl3O2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3
InChIKeyMECQULFAAYGDDW-UHFFFAOYSA-N
MW259.54 g/mol
LogP3.23
Rot. Bonds1

About 2,6-dichloro-3-methylbenzenesulfonyl chloride

2,6-dichloro-3-methylbenzenesulfonyl chloride (PubChem CID 16769922) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.54 g/mol. Its IUPAC name is 2,6-dichloro-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dichloro-3-methylbenzenesulfonyl chloride
PubChem CID16769922
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.54 g/mol
Exact Mass257.91
IUPAC Name2,6-dichloro-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl3O2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3
InChIKeyMECQULFAAYGDDW-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methylbenzenesulfonyl chloride?
The IUPAC name of 2,6-dichloro-3-methylbenzenesulfonyl chloride (CID 16769922) is 2,6-dichloro-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2,6-dichloro-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 2,6-dichloro-3-methylbenzenesulfonyl chloride is Cc1ccc(Cl)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,6-dichloro-3-methylbenzenesulfonyl chloride?
The InChIKey is MECQULFAAYGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3.
What are the key properties of 2,6-dichloro-3-methylbenzenesulfonyl chloride?
2,6-dichloro-3-methylbenzenesulfonyl chloride has a molecular weight of 259.54 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 16769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).