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

C21H16FN3O3S — CID 57394996

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H16FN3O3S/c22-17-13-11-15(12-14-17)19(25-29(26,27)18-9-5-2-6-10-18)21-24-23-20(28-21)16-7-3-1-4-8-16/h1-14,19,25H
InChIKeyQLRFIQBPUCUWNR-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.94
Rot. Bonds6

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 57394996) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID57394996
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H16FN3O3S/c22-17-13-11-15(12-14-17)19(25-29(26,27)18-9-5-2-6-10-18)21-24-23-20(28-21)16-7-3-1-4-8-16/h1-14,19,25H
InChIKeyQLRFIQBPUCUWNR-UHFFFAOYSA-N
XLogP3.94
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 57394996) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QLRFIQBPUCUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-17-13-11-15(12-14-17)19(25-29(26,27)18-9-5-2-6-10-18)21-24-23-20(28-21)16-7-3-1-4-8-16/h1-14,19,25H.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 409.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 57394996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).