methyl 2-(4-chlorosulfonylphenoxy)acetate

C9H9ClO5S — CID 22479292

IUPACmethyl 2-(4-chlorosulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3
InChIKeyISHZBFTYSQSGBF-UHFFFAOYSA-N
MW264.69 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-(4-chlorosulfonylphenoxy)acetate

methyl 2-(4-chlorosulfonylphenoxy)acetate (PubChem CID 22479292) has the molecular formula C9H9ClO5S and a molecular weight of 264.69 g/mol. Its IUPAC name is methyl 2-(4-chlorosulfonylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorosulfonylphenoxy)acetate
PubChem CID22479292
Molecular FormulaC9H9ClO5S
Molecular Weight264.69 g/mol
Exact Mass263.99
IUPAC Namemethyl 2-(4-chlorosulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3
InChIKeyISHZBFTYSQSGBF-UHFFFAOYSA-N
XLogP1.17
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorosulfonylphenoxy)acetate?
The IUPAC name of methyl 2-(4-chlorosulfonylphenoxy)acetate (CID 22479292) is methyl 2-(4-chlorosulfonylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-chlorosulfonylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-chlorosulfonylphenoxy)acetate is COC(=O)COc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorosulfonylphenoxy)acetate?
The InChIKey is ISHZBFTYSQSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-chlorosulfonylphenoxy)acetate?
methyl 2-(4-chlorosulfonylphenoxy)acetate has a molecular weight of 264.69 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorosulfonylphenoxy)acetate is sourced from PubChem (CID 22479292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).