3-chloro-2,6-dimethoxybenzenesulfonyl chloride

C8H8Cl2O4S — CID 18981621

IUPAC3-chloro-2,6-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)c(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O4S/c1-13-6-4-3-5(9)7(14-2)8(6)15(10,11)12/h3-4H,1-2H3
InChIKeyJOJNRDCALXLXJY-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.28
Rot. Bonds3

About 3-chloro-2,6-dimethoxybenzenesulfonyl chloride

3-chloro-2,6-dimethoxybenzenesulfonyl chloride (PubChem CID 18981621) has the molecular formula C8H8Cl2O4S and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-chloro-2,6-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2,6-dimethoxybenzenesulfonyl chloride
PubChem CID18981621
Molecular FormulaC8H8Cl2O4S
Molecular Weight271.12 g/mol
Exact Mass269.95
IUPAC Name3-chloro-2,6-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)c(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O4S/c1-13-6-4-3-5(9)7(14-2)8(6)15(10,11)12/h3-4H,1-2H3
InChIKeyJOJNRDCALXLXJY-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2,6-dimethoxybenzenesulfonyl 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 3-chloro-2,6-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2,6-dimethoxybenzenesulfonyl chloride (CID 18981621) is 3-chloro-2,6-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2,6-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2,6-dimethoxybenzenesulfonyl chloride is COc1ccc(Cl)c(OC)c1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-2,6-dimethoxybenzenesulfonyl chloride?
The InChIKey is JOJNRDCALXLXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O4S/c1-13-6-4-3-5(9)7(14-2)8(6)15(10,11)12/h3-4H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethoxybenzenesulfonyl chloride?
3-chloro-2,6-dimethoxybenzenesulfonyl chloride has a molecular weight of 271.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 18981621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).