ethyl 3-morpholin-4-ylsulfonylbenzoate

C13H17NO5S — CID 793747

IUPACethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO5S/c1-2-19-13(15)11-4-3-5-12(10-11)20(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3
InChIKeyZFRGTRQJVGNREC-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.88
Rot. Bonds4

About ethyl 3-morpholin-4-ylsulfonylbenzoate

ethyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 793747) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID793747
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Nameethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO5S/c1-2-19-13(15)11-4-3-5-12(10-11)20(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3
InChIKeyZFRGTRQJVGNREC-UHFFFAOYSA-N
XLogP0.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 42964870
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
CID 1043465
ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000094
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of ethyl 3-morpholin-4-ylsulfonylbenzoate (CID 793747) is ethyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for ethyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for ethyl 3-morpholin-4-ylsulfonylbenzoate is CCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of ethyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is ZFRGTRQJVGNREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-19-13(15)11-4-3-5-12(10-11)20(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 3-morpholin-4-ylsulfonylbenzoate?
ethyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 299.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 793747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).