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

C15H12FN3O3S — CID 1247978

IUPAC4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3S/c16-12-6-8-13(9-7-12)23(20,21)17-10-14-18-15(19-22-14)11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyURCAXLMIXBPILD-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.35
Rot. Bonds5

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

4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 1247978) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID1247978
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3S/c16-12-6-8-13(9-7-12)23(20,21)17-10-14-18-15(19-22-14)11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyURCAXLMIXBPILD-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-yl)benzenesulfonamide
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-(3-methylphenyl)-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 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 1247978) is 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is URCAXLMIXBPILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-12-6-8-13(9-7-12)23(20,21)17-10-14-18-15(19-22-14)11-4-2-1-3-5-11/h1-9,17H,10H2.
What are the key properties of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(3-phenyl-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 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1247978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).