4-(methoxymethyl)benzenesulfonyl chloride

C8H9ClO3S — CID 55280306

IUPAC4-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-12-6-7-2-4-8(5-3-7)13(9,10)11/h2-5H,6H2,1H3
InChIKeyWKWGSOIGLWSEPZ-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.76
Rot. Bonds3

About 4-(methoxymethyl)benzenesulfonyl chloride

4-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 55280306) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(methoxymethyl)benzenesulfonyl chloride
PubChem CID55280306
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name4-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-12-6-7-2-4-8(5-3-7)13(9,10)11/h2-5H,6H2,1H3
InChIKeyWKWGSOIGLWSEPZ-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(methoxymethyl)benzenesulfonyl chloride (CID 55280306) is 4-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(methoxymethyl)benzenesulfonyl chloride is COCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is WKWGSOIGLWSEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-12-6-7-2-4-8(5-3-7)13(9,10)11/h2-5H,6H2,1H3.
What are the key properties of 4-(methoxymethyl)benzenesulfonyl chloride?
4-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 55280306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).