3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride

C8H7Br2ClO2S — CID 12548722

IUPAC3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(Br)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Br2ClO2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3
InChIKeyUVDBISCJHRJSCW-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds1

About 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride

3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride (PubChem CID 12548722) has the molecular formula C8H7Br2ClO2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride
PubChem CID12548722
Molecular FormulaC8H7Br2ClO2S
Molecular Weight362.47 g/mol
Exact Mass359.82
IUPAC Name3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(Br)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Br2ClO2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3
InChIKeyUVDBISCJHRJSCW-UHFFFAOYSA-N
XLogP3.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride (CID 12548722) is 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride is Cc1c(Br)cc(Br)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride?
The InChIKey is UVDBISCJHRJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2ClO2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3.
What are the key properties of 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride?
3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride has a molecular weight of 362.47 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 12548722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).