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

C13H14N4O3S — CID 75475225

IUPACN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)no1
InChIInChI=1S/C13H14N4O3S/c1-13(2,3)11-15-12(16-20-11)17-21(18,19)10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyUAZQKWWGFXVJOK-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.04
Rot. Bonds3

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

N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide (PubChem CID 75475225) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
PubChem CID75475225
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)no1
InChIInChI=1S/C13H14N4O3S/c1-13(2,3)11-15-12(16-20-11)17-21(18,19)10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyUAZQKWWGFXVJOK-UHFFFAOYSA-N
XLogP2.04
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide (CID 75475225) is N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide is CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide?
The InChIKey is UAZQKWWGFXVJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-13(2,3)11-15-12(16-20-11)17-21(18,19)10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide?
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide has a molecular weight of 306.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 75475225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).