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

C16H14FN3O3S — CID 2991018

IUPAC4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-4-12(5-3-11)16-19-15(23-20-16)10-18-24(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3
InChIKeyXUWALOPSQPUISQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.66
Rot. Bonds5

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

4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 2991018) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID2991018
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-4-12(5-3-11)16-19-15(23-20-16)10-18-24(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3
InChIKeyXUWALOPSQPUISQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 2991018) is 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is XUWALOPSQPUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-11-2-4-12(5-3-11)16-19-15(23-20-16)10-18-24(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3.
What are the key properties of 4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.66, 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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 2991018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).