ethyl 2-(2-methylphenyl)sulfonylacetate

C11H14O4S — CID 60891426

IUPACethyl 2-(2-methylphenyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyKJWUEPKAPFMMRD-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-(2-methylphenyl)sulfonylacetate

ethyl 2-(2-methylphenyl)sulfonylacetate (PubChem CID 60891426) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(2-methylphenyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(2-methylphenyl)sulfonylacetate
PubChem CID60891426
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Nameethyl 2-(2-methylphenyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyKJWUEPKAPFMMRD-UHFFFAOYSA-N
XLogP1.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)sulfonylacetamide
CID 47361891
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
diethyl hexanedioate;1-(2-methylphenyl)sulfonylpropan-1-amine
CID 174897290
diethyl benzene-1,2-dicarboxylate;2-methylbenzenesulfonic acid;methylphosphane
CID 174842450
ethyl 2-(4-butanoylphenyl)sulfonylacetate
CID 82164709
(2-methylphenyl)sulfonylurea
CID 20975378
ethyl 2-(4-propanoylphenyl)sulfonylacetate
CID 82164552
ethyl 2-[2-(methylamino)-2-(2-methylphenyl)ethyl]sulfonylacetate
CID 64675181
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
ethyl 2-[4-(2-hydroxyethyl)phenyl]sulfonylacetate
CID 142427700
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylphenyl)sulfonylacetate?
The IUPAC name of ethyl 2-(2-methylphenyl)sulfonylacetate (CID 60891426) is ethyl 2-(2-methylphenyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(2-methylphenyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(2-methylphenyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)c1ccccc1C.
What is the InChIKey of ethyl 2-(2-methylphenyl)sulfonylacetate?
The InChIKey is KJWUEPKAPFMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-methylphenyl)sulfonylacetate?
ethyl 2-(2-methylphenyl)sulfonylacetate has a molecular weight of 242.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylphenyl)sulfonylacetate is sourced from PubChem (CID 60891426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).