ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate

C11H13ClO5S — CID 11415129

IUPACethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-10-5-4-9(6-8(10)2)18(12,14)15/h4-6H,3,7H2,1-2H3
InChIKeyBXENIYIGPPXPNY-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate

ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate (PubChem CID 11415129) has the molecular formula C11H13ClO5S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate
PubChem CID11415129
Molecular FormulaC11H13ClO5S
Molecular Weight292.74 g/mol
Exact Mass292.02
IUPAC Nameethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-10-5-4-9(6-8(10)2)18(12,14)15/h4-6H,3,7H2,1-2H3
InChIKeyBXENIYIGPPXPNY-UHFFFAOYSA-N
XLogP1.86
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate (CID 11415129) is ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate is CCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate?
The InChIKey is BXENIYIGPPXPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-10-5-4-9(6-8(10)2)18(12,14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate?
ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate has a molecular weight of 292.74 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorosulfonyl-2-methylphenoxy)acetate is sourced from PubChem (CID 11415129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).