(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate

C17H23FN2O6S — CID 16530031

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H23FN2O6S/c1-3-20(4-2)27(23,24)15-11-13(5-6-14(15)18)17(22)26-12-16(21)19-7-9-25-10-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyXSGASGIHHRNOGP-UHFFFAOYSA-N
MW402.44 g/mol
LogP0.87
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 16530031) has the molecular formula C17H23FN2O6S and a molecular weight of 402.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID16530031
Molecular FormulaC17H23FN2O6S
Molecular Weight402.44 g/mol
Exact Mass402.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H23FN2O6S/c1-3-20(4-2)27(23,24)15-11-13(5-6-14(15)18)17(22)26-12-16(21)19-7-9-25-10-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyXSGASGIHHRNOGP-UHFFFAOYSA-N
XLogP0.87
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530052
(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976407
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55398929
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530056
[2-(4-chloroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316038
(4-methylphenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529928
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433649
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
(3-fluorophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529935
2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529915
[2-(4-tert-butylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521348

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 16530031) is (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOCC2)ccc1F.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is XSGASGIHHRNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O6S/c1-3-20(4-2)27(23,24)15-11-13(5-6-14(15)18)17(22)26-12-16(21)19-7-9-25-10-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 402.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 16530031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).