3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C14H10FN3O3S — CID 155565232

IUPAC3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C14H10FN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyOCOYXYNRJSUSNJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.19
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 155565232) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID155565232
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C14H10FN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyOCOYXYNRJSUSNJ-UHFFFAOYSA-N
XLogP2.19
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
CID 259840
2-(Benzenesulfonylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 22432641
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
2-[(2-Fluorobenzyl)thio]-5-phenyl-1,3,4-oxadiazole
CID 783687
Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl sulfide
CID 1484133
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
4-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526878
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526881
4-[5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526882

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 155565232) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is OCOYXYNRJSUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 319.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 155565232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).