N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide

C12H14FN3O3S — CID 84599145

IUPACN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O3S/c1-12(2,3)10-14-11(15-19-10)16-20(17,18)9-6-4-5-8(13)7-9/h4-7H,1-3H3,(H,15,16)
InChIKeyUJIMBJFBYUYPNI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.31
Rot. Bonds3

About N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide

N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide (PubChem CID 84599145) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide
PubChem CID84599145
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O3S/c1-12(2,3)10-14-11(15-19-10)16-20(17,18)9-6-4-5-8(13)7-9/h4-7H,1-3H3,(H,15,16)
InChIKeyUJIMBJFBYUYPNI-UHFFFAOYSA-N
XLogP2.31
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide (CID 84599145) is N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide is CC(C)(C)c1nc(NS(=O)(=O)c2cccc(F)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide?
The InChIKey is UJIMBJFBYUYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-12(2,3)10-14-11(15-19-10)16-20(17,18)9-6-4-5-8(13)7-9/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide?
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 84599145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).