5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide

C21H24FN3O5S — CID 55814454

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C21H24FN3O5S/c1-3-24(4-2)31(28,29)17-8-9-19(22)18(13-17)20(26)23-14-15-6-5-7-16(12-15)25-10-11-30-21(25)27/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,26)
InChIKeyQQDGTPSTCOSNNG-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.74
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (PubChem CID 55814454) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
PubChem CID55814454
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C21H24FN3O5S/c1-3-24(4-2)31(28,29)17-8-9-19(22)18(13-17)20(26)23-14-15-6-5-7-16(12-15)25-10-11-30-21(25)27/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,26)
InChIKeyQQDGTPSTCOSNNG-UHFFFAOYSA-N
XLogP2.74
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 94659890
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 167833868
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (CID 55814454) is 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(N3CCOC3=O)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The InChIKey is QQDGTPSTCOSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-3-24(4-2)31(28,29)17-8-9-19(22)18(13-17)20(26)23-14-15-6-5-7-16(12-15)25-10-11-30-21(25)27/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide has a molecular weight of 449.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55814454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).