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

C16H14FN3O3S — CID 17101254

IUPAC4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H14FN3O3S/c1-11(20-24(21,22)14-9-7-13(17)8-10-14)16-18-15(19-23-16)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyLDVIVQDTKJOCEO-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.92
Rot. Bonds5

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

4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 17101254) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID17101254
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H14FN3O3S/c1-11(20-24(21,22)14-9-7-13(17)8-10-14)16-18-15(19-23-16)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyLDVIVQDTKJOCEO-UHFFFAOYSA-N
XLogP2.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 17101254) is 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is LDVIVQDTKJOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-11(20-24(21,22)14-9-7-13(17)8-10-14)16-18-15(19-23-16)12-5-3-2-4-6-12/h2-11,20H,1H3.
What are the key properties of 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 17101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).