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

C15H12FN3O3S — CID 110293555

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C15H12FN3O3S/c16-12-8-6-11(7-9-12)15-18-14(22-19-15)10-17-23(20,21)13-4-2-1-3-5-13/h1-9,17H,10H2
InChIKeyXRONUSXUVNXMDV-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.35
Rot. Bonds5

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

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 110293555) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID110293555
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C15H12FN3O3S/c16-12-8-6-11(7-9-12)15-18-14(22-19-15)10-17-23(20,21)13-4-2-1-3-5-13/h1-9,17H,10H2
InChIKeyXRONUSXUVNXMDV-UHFFFAOYSA-N
XLogP2.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 132498655
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 2986589
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 2989398
2-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 8070950
N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 8087367
N-cyclohexyl-4-fluoro-N-((3-(m-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide
CID 16013455
N-Cyclohexyl-4-fluoro-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-YL]methyl}benzene-1-sulfonamide
CID 16013457
5-[1-(4-Fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 71454745
3-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155534862
4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155568453

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 110293555) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is XRONUSXUVNXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-12-8-6-11(7-9-12)15-18-14(22-19-15)10-17-23(20,21)13-4-2-1-3-5-13/h1-9,17H,10H2.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110293555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).