methyl 5-ethylsulfonyl-2-methoxybenzoate

C11H14O5S — CID 6454351

IUPACmethyl 5-ethylsulfonyl-2-methoxybenzoate
SMILESCCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3
InChIKeyUUARTHQJSZTOEM-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.28
Rot. Bonds4

About methyl 5-ethylsulfonyl-2-methoxybenzoate

methyl 5-ethylsulfonyl-2-methoxybenzoate (PubChem CID 6454351) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl 5-ethylsulfonyl-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-ethylsulfonyl-2-methoxybenzoate
PubChem CID6454351
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Namemethyl 5-ethylsulfonyl-2-methoxybenzoate
SMILESCCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3
InChIKeyUUARTHQJSZTOEM-UHFFFAOYSA-N
XLogP1.28
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylsulfonyl-2-methoxybenzoate?
The IUPAC name of methyl 5-ethylsulfonyl-2-methoxybenzoate (CID 6454351) is methyl 5-ethylsulfonyl-2-methoxybenzoate.
What is the SMILES notation for methyl 5-ethylsulfonyl-2-methoxybenzoate?
The canonical SMILES for methyl 5-ethylsulfonyl-2-methoxybenzoate is CCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethylsulfonyl-2-methoxybenzoate?
The InChIKey is UUARTHQJSZTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 5-ethylsulfonyl-2-methoxybenzoate?
methyl 5-ethylsulfonyl-2-methoxybenzoate has a molecular weight of 258.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylsulfonyl-2-methoxybenzoate is sourced from PubChem (CID 6454351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).