pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate

C17H19FN2O4S — CID 25311392

IUPACpyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccn2)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-20(4-2)25(22,23)14-8-9-16(18)15(11-14)17(21)24-12-13-7-5-6-10-19-13/h5-11H,3-4,12H2,1-2H3
InChIKeyWFURBPBKSROJAZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.61
Rot. Bonds7

About pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate

pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate (PubChem CID 25311392) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
PubChem CID25311392
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Namepyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccn2)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-20(4-2)25(22,23)14-8-9-16(18)15(11-14)17(21)24-12-13-7-5-6-10-19-13/h5-11H,3-4,12H2,1-2H3
InChIKeyWFURBPBKSROJAZ-UHFFFAOYSA-N
XLogP2.61
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512444
(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16578035
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16610957
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 30026975
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512416
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16580286
[(1R)-1-(4-fluorophenyl)ethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7252993
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8625969
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate (CID 25311392) is pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccn2)c1.
What is the InChIKey of pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is WFURBPBKSROJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-20(4-2)25(22,23)14-8-9-16(18)15(11-14)17(21)24-12-13-7-5-6-10-19-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 366.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 25311392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).