ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate

C11H13ClO5S — CID 53408203

IUPACethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1cccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-9-5-4-6-10(8(9)2)18(12,14)15/h4-6H,3,7H2,1-2H3
InChIKeyBPYXVPOLVBLNQJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate

ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate (PubChem CID 53408203) has the molecular formula C11H13ClO5S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
PubChem CID53408203
Molecular FormulaC11H13ClO5S
Molecular Weight292.74 g/mol
Exact Mass292.02
IUPAC Nameethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1cccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-9-5-4-6-10(8(9)2)18(12,14)15/h4-6H,3,7H2,1-2H3
InChIKeyBPYXVPOLVBLNQJ-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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Related Compounds

ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
CID 71378315
ethyl 2-[2-[2-[2-chlorosulfonyl-2-(2-methylphenyl)sulfonylethoxy]-2-oxoethoxy]phenoxy]acetate
CID 142854191
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
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2-(2-ethoxy-2-oxoethoxy)benzoic acid
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ethyl 2-[(4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate;ethyl 2-[(4-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 159577878
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
ethyl 2-(2-chloro-3-nitrophenoxy)acetate
CID 91997015
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8551082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate (CID 53408203) is ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate is CCOC(=O)COc1cccc(S(=O)(=O)Cl)c1C.
What is the InChIKey of ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate?
The InChIKey is BPYXVPOLVBLNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-9-5-4-6-10(8(9)2)18(12,14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate?
ethyl 2-(3-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-(3-chlorosulfonyl-2-methylphenoxy)acetate is sourced from PubChem (CID 53408203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).