2,3-dimethoxybenzenesulfonyl chloride

C8H9ClO4S — CID 22665537

IUPAC2,3-dimethoxybenzenesulfonyl chloride
SMILESCOc1cccc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C8H9ClO4S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11/h3-5H,1-2H3
InChIKeyHWBGESNUXOCFIT-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.63
Rot. Bonds3

About 2,3-dimethoxybenzenesulfonyl chloride

2,3-dimethoxybenzenesulfonyl chloride (PubChem CID 22665537) has the molecular formula C8H9ClO4S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2,3-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethoxybenzenesulfonyl chloride
PubChem CID22665537
Molecular FormulaC8H9ClO4S
Molecular Weight236.68 g/mol
Exact Mass235.99
IUPAC Name2,3-dimethoxybenzenesulfonyl chloride
SMILESCOc1cccc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C8H9ClO4S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11/h3-5H,1-2H3
InChIKeyHWBGESNUXOCFIT-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 2,3-dimethoxybenzenesulfonyl chloride (CID 22665537) is 2,3-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 2,3-dimethoxybenzenesulfonyl chloride is COc1cccc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 2,3-dimethoxybenzenesulfonyl chloride?
The InChIKey is HWBGESNUXOCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11/h3-5H,1-2H3.
What are the key properties of 2,3-dimethoxybenzenesulfonyl chloride?
2,3-dimethoxybenzenesulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 22665537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).