2-(methoxymethoxy)benzenesulfonyl chloride

C8H9ClO4S — CID 131454177

IUPAC2-(methoxymethoxy)benzenesulfonyl chloride
SMILESCOCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S/c1-12-6-13-7-4-2-3-5-8(7)14(9,10)11/h2-5H,6H2,1H3
InChIKeyKOFGLHYHJGAJPL-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.60
Rot. Bonds4

About 2-(methoxymethoxy)benzenesulfonyl chloride

2-(methoxymethoxy)benzenesulfonyl chloride (PubChem CID 131454177) has the molecular formula C8H9ClO4S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(methoxymethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(methoxymethoxy)benzenesulfonyl chloride
PubChem CID131454177
Molecular FormulaC8H9ClO4S
Molecular Weight236.68 g/mol
Exact Mass235.99
IUPAC Name2-(methoxymethoxy)benzenesulfonyl chloride
SMILESCOCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S/c1-12-6-13-7-4-2-3-5-8(7)14(9,10)11/h2-5H,6H2,1H3
InChIKeyKOFGLHYHJGAJPL-UHFFFAOYSA-N
XLogP1.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-butoxybenzenesulfonyl chloride
CID 21253032
2-pentoxybenzenesulfonyl chloride
CID 87516954
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607
1-bis[2-(methoxymethoxy)phenyl]phosphoryl-2-(methoxymethoxy)benzene
CID 84820824
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880
2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride
CID 18791826
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(methoxymethoxy)benzenesulfonyl chloride (CID 131454177) is 2-(methoxymethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(methoxymethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(methoxymethoxy)benzenesulfonyl chloride is COCOc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(methoxymethoxy)benzenesulfonyl chloride?
The InChIKey is KOFGLHYHJGAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S/c1-12-6-13-7-4-2-3-5-8(7)14(9,10)11/h2-5H,6H2,1H3.
What are the key properties of 2-(methoxymethoxy)benzenesulfonyl chloride?
2-(methoxymethoxy)benzenesulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 131454177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).