[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C20H22N2O8S2 — CID 25044862

IUPAC[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H22N2O8S2/c1-21-31(25,26)17-6-3-5-16(13-17)20(24)30-14-19(23)15-4-2-7-18(12-15)32(27,28)22-8-10-29-11-9-22/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyCGKPPRMNCPETFF-UHFFFAOYSA-N
MW482.54 g/mol
LogP0.66
Rot. Bonds8

About [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 25044862) has the molecular formula C20H22N2O8S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID25044862
Molecular FormulaC20H22N2O8S2
Molecular Weight482.54 g/mol
Exact Mass482.08
IUPAC Name[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H22N2O8S2/c1-21-31(25,26)17-6-3-5-16(13-17)20(24)30-14-19(23)15-4-2-7-18(12-15)32(27,28)22-8-10-29-11-9-22/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyCGKPPRMNCPETFF-UHFFFAOYSA-N
XLogP0.66
TPSA136.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 42964870
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2361430
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 25044862) is [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is CGKPPRMNCPETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O8S2/c1-21-31(25,26)17-6-3-5-16(13-17)20(24)30-14-19(23)15-4-2-7-18(12-15)32(27,28)22-8-10-29-11-9-22/h2-7,12-13,21H,8-11,14H2,1H3.
What are the key properties of [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 482.54 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 25044862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).