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

C22H17FN4O4S — CID 2158903

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H17FN4O4S/c1-27(18-5-3-2-4-6-18)32(29,30)19-13-9-15(10-14-19)20(28)24-22-26-25-21(31-22)16-7-11-17(23)12-8-16/h2-14H,1H3,(H,24,26,28)
InChIKeyJPVJIVSMURSWGM-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.95
Rot. Bonds6

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2158903) has the molecular formula C22H17FN4O4S and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2158903
Molecular FormulaC22H17FN4O4S
Molecular Weight452.47 g/mol
Exact Mass452.10
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H17FN4O4S/c1-27(18-5-3-2-4-6-18)32(29,30)19-13-9-15(10-14-19)20(28)24-22-26-25-21(31-22)16-7-11-17(23)12-8-16/h2-14H,1H3,(H,24,26,28)
InChIKeyJPVJIVSMURSWGM-UHFFFAOYSA-N
XLogP3.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2158903) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JPVJIVSMURSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O4S/c1-27(18-5-3-2-4-6-18)32(29,30)19-13-9-15(10-14-19)20(28)24-22-26-25-21(31-22)16-7-11-17(23)12-8-16/h2-14H,1H3,(H,24,26,28).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 452.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2158903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).