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

C9H8FN3O3S — CID 104826666

IUPAC4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C9H8FN3O3S/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKeyWJPAGFJPSIIOLC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.32
Rot. Bonds3

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

4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 104826666) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID104826666
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C9H8FN3O3S/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKeyWJPAGFJPSIIOLC-UHFFFAOYSA-N
XLogP1.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
CID 99800633
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 14870864
2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole
CID 23000798
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 104826666) is 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is WJPAGFJPSIIOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13).
What are the key properties of 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 257.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 104826666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).