4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H19FN4O4S — CID 2051103

IUPAC4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H19FN4O4S/c1-28(15-16-5-3-2-4-6-16)33(30,31)20-13-9-17(10-14-20)21(29)25-23-27-26-22(32-23)18-7-11-19(24)12-8-18/h2-14H,15H2,1H3,(H,25,27,29)
InChIKeyPYIYVGWAIRCHJI-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.95
Rot. Bonds7

About 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2051103) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2051103
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H19FN4O4S/c1-28(15-16-5-3-2-4-6-16)33(30,31)20-13-9-17(10-14-20)21(29)25-23-27-26-22(32-23)18-7-11-19(24)12-8-18/h2-14H,15H2,1H3,(H,25,27,29)
InChIKeyPYIYVGWAIRCHJI-UHFFFAOYSA-N
XLogP3.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2051103) is 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PYIYVGWAIRCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-28(15-16-5-3-2-4-6-16)33(30,31)20-13-9-17(10-14-20)21(29)25-23-27-26-22(32-23)18-7-11-19(24)12-8-18/h2-14H,15H2,1H3,(H,25,27,29).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 466.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).