2-chloro-3-methoxybenzenesulfonyl chloride

C7H6Cl2O3S — CID 55280680

IUPAC2-chloro-3-methoxybenzenesulfonyl chloride
SMILESCOc1cccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H6Cl2O3S/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,1H3
InChIKeyOWVDVWARYDTVHA-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-3-methoxybenzenesulfonyl chloride

2-chloro-3-methoxybenzenesulfonyl chloride (PubChem CID 55280680) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-chloro-3-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-3-methoxybenzenesulfonyl chloride
PubChem CID55280680
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name2-chloro-3-methoxybenzenesulfonyl chloride
SMILESCOc1cccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H6Cl2O3S/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,1H3
InChIKeyOWVDVWARYDTVHA-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-methoxybenzenesulfonyl 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-chloro-3-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-3-methoxybenzenesulfonyl chloride (CID 55280680) is 2-chloro-3-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-3-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-3-methoxybenzenesulfonyl chloride is COc1cccc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-3-methoxybenzenesulfonyl chloride?
The InChIKey is OWVDVWARYDTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,1H3.
What are the key properties of 2-chloro-3-methoxybenzenesulfonyl chloride?
2-chloro-3-methoxybenzenesulfonyl chloride has a molecular weight of 241.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 55280680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).