ethyl 2-(4-chlorophenyl)sulfonylacetate

C10H11ClO4S — CID 560081

IUPACethyl 2-(4-chlorophenyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyBKBFOPDOLZURHT-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)sulfonylacetate

ethyl 2-(4-chlorophenyl)sulfonylacetate (PubChem CID 560081) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)sulfonylacetate
PubChem CID560081
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Nameethyl 2-(4-chlorophenyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyBKBFOPDOLZURHT-UHFFFAOYSA-N
XLogP1.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)sulfonylacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)sulfonylacetate (CID 560081) is ethyl 2-(4-chlorophenyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)sulfonylacetate?
The InChIKey is BKBFOPDOLZURHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)sulfonylacetate?
ethyl 2-(4-chlorophenyl)sulfonylacetate has a molecular weight of 262.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)sulfonylacetate is sourced from PubChem (CID 560081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).