3,4-dimethoxybenzenesulfonyl chloride

C8H9ClO4S — CID 2734183

IUPAC3,4-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKeyRSJSYCZYQNJQPY-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.63
Rot. Bonds3

About 3,4-dimethoxybenzenesulfonyl chloride

3,4-dimethoxybenzenesulfonyl chloride (PubChem CID 2734183) has the molecular formula C8H9ClO4S and a molecular weight of 236.68 g/mol. Its IUPAC name is 3,4-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-dimethoxybenzenesulfonyl chloride
PubChem CID2734183
Molecular FormulaC8H9ClO4S
Molecular Weight236.68 g/mol
Exact Mass235.99
IUPAC Name3,4-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKeyRSJSYCZYQNJQPY-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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Related Compounds

4-Methoxybenzenesulfonamide
CID 70789
2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
Sulfogaiacol
CID 4874
4-Methoxybenzenesulfonyl chloride
CID 7401
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
3-Methoxybenzene-1-sulfonamide
CID 14763060
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
4-[(3,4-Dimethoxyphenyl)sulfonyl]-1,2-dimethoxybenzene
CID 650478
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
Thiocol
CID 102601439
3,4-Dimethoxybenzene-1-sulfonamide
CID 679488

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 3,4-dimethoxybenzenesulfonyl chloride (CID 2734183) is 3,4-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3,4-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 3,4-dimethoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 3,4-dimethoxybenzenesulfonyl chloride?
The InChIKey is RSJSYCZYQNJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3.
What are the key properties of 3,4-dimethoxybenzenesulfonyl chloride?
3,4-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 3,4-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 2734183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).