2-bromo-6-methylbenzenesulfonyl chloride

C7H6BrClO2S — CID 58509331

IUPAC2-bromo-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyVEHWFVLFMUJFDI-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-6-methylbenzenesulfonyl chloride

2-bromo-6-methylbenzenesulfonyl chloride (PubChem CID 58509331) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is 2-bromo-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-6-methylbenzenesulfonyl chloride
PubChem CID58509331
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name2-bromo-6-methylbenzenesulfonyl chloride
SMILESCc1cccc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3
InChIKeyVEHWFVLFMUJFDI-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-methylbenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylbenzenesulfonyl chloride?
The IUPAC name of 2-bromo-6-methylbenzenesulfonyl chloride (CID 58509331) is 2-bromo-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-6-methylbenzenesulfonyl chloride is Cc1cccc(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 2-bromo-6-methylbenzenesulfonyl chloride?
The InChIKey is VEHWFVLFMUJFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3.
What are the key properties of 2-bromo-6-methylbenzenesulfonyl chloride?
2-bromo-6-methylbenzenesulfonyl chloride has a molecular weight of 269.55 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 58509331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).