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

C20H13F2N3O3S — CID 50841890

IUPACN-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H13F2N3O3S/c21-14-10-8-13(9-11-14)19-23-20(28-24-19)17-6-1-2-7-18(17)29(26,27)25-16-5-3-4-15(22)12-16/h1-12,25H
InChIKeyPUSODRFGBYCLHR-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.48
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 50841890) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID50841890
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC NameN-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H13F2N3O3S/c21-14-10-8-13(9-11-14)19-23-20(28-24-19)17-6-1-2-7-18(17)29(26,27)25-16-5-3-4-15(22)12-16/h1-12,25H
InChIKeyPUSODRFGBYCLHR-UHFFFAOYSA-N
XLogP4.48
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 50841866
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 50842206
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 35521934
N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 46397258
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 50841890) is N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is PUSODRFGBYCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c21-14-10-8-13(9-11-14)19-23-20(28-24-19)17-6-1-2-7-18(17)29(26,27)25-16-5-3-4-15(22)12-16/h1-12,25H.
What are the key properties of N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 413.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 50841890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).