(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate

C15H19FN2O6S — CID 7976407

IUPAC(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19FN2O6S/c1-17(2)25(21,22)11-3-4-13(16)12(9-11)15(20)24-10-14(19)18-5-7-23-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXNKGRKVBALRMGO-UHFFFAOYSA-N
MW374.39 g/mol
LogP0.09
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate (PubChem CID 7976407) has the molecular formula C15H19FN2O6S and a molecular weight of 374.39 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
PubChem CID7976407
Molecular FormulaC15H19FN2O6S
Molecular Weight374.39 g/mol
Exact Mass374.09
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19FN2O6S/c1-17(2)25(21,22)11-3-4-13(16)12(9-11)15(20)24-10-14(19)18-5-7-23-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXNKGRKVBALRMGO-UHFFFAOYSA-N
XLogP0.09
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976393
(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
CID 7466290
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654403
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563381
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530031
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7803545
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202293
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976213
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42984800
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405
cyanomethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976390

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate (CID 7976407) is (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is XNKGRKVBALRMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O6S/c1-17(2)25(21,22)11-3-4-13(16)12(9-11)15(20)24-10-14(19)18-5-7-23-8-6-18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 374.39 g/mol, XLogP of 0.09, 5 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) 5-(dimethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 7976407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).