N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide

C11H12FN3O3S — CID 84597490

IUPACN-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(C)cc(F)c2)no1
InChIInChI=1S/C11H12FN3O3S/c1-3-10-13-11(14-18-10)15-19(16,17)9-5-7(2)4-8(12)6-9/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyXMRSHYHKKDJFLC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.88
Rot. Bonds4

About N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide

N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 84597490) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide
PubChem CID84597490
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC NameN-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(C)cc(F)c2)no1
InChIInChI=1S/C11H12FN3O3S/c1-3-10-13-11(14-18-10)15-19(16,17)9-5-7(2)4-8(12)6-9/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyXMRSHYHKKDJFLC-UHFFFAOYSA-N
XLogP1.88
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide (CID 84597490) is N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide is CCc1nc(NS(=O)(=O)c2cc(C)cc(F)c2)no1.
What is the InChIKey of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is XMRSHYHKKDJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-3-10-13-11(14-18-10)15-19(16,17)9-5-7(2)4-8(12)6-9/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide?
N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 84597490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).