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

C18H16FN3O3S — CID 99793589

IUPAC4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3(c4cccc(F)c4)CCC3)n2)cc1
InChIInChI=1S/C18H16FN3O3S/c19-14-4-1-3-13(11-14)18(9-2-10-18)17-21-16(22-25-17)12-5-7-15(8-6-12)26(20,23)24/h1,3-8,11H,2,9-10H2,(H2,20,23,24)
InChIKeyPTGOWKJSWHRPEU-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.99
Rot. Bonds4

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

4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 99793589) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID99793589
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3(c4cccc(F)c4)CCC3)n2)cc1
InChIInChI=1S/C18H16FN3O3S/c19-14-4-1-3-13(11-14)18(9-2-10-18)17-21-16(22-25-17)12-5-7-15(8-6-12)26(20,23)24/h1,3-8,11H,2,9-10H2,(H2,20,23,24)
InChIKeyPTGOWKJSWHRPEU-UHFFFAOYSA-N
XLogP2.99
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 99793589) is 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(C3(c4cccc(F)c4)CCC3)n2)cc1.
What is the InChIKey of 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is PTGOWKJSWHRPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-14-4-1-3-13(11-14)18(9-2-10-18)17-21-16(22-25-17)12-5-7-15(8-6-12)26(20,23)24/h1,3-8,11H,2,9-10H2,(H2,20,23,24).
What are the key properties of 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 99793589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).