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

C14H17N3O3S — CID 126829172

IUPACN-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2nnc(CCCC)o2)cc1
InChIInChI=1S/C14H17N3O3S/c1-3-5-6-13-15-16-14(20-13)17-21(18,19)12-9-7-11(4-2)8-10-12/h4,7-10H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyNGLORZKXGFUHGQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.86
Rot. Bonds7

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

N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide (PubChem CID 126829172) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide
PubChem CID126829172
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2nnc(CCCC)o2)cc1
InChIInChI=1S/C14H17N3O3S/c1-3-5-6-13-15-16-14(20-13)17-21(18,19)12-9-7-11(4-2)8-10-12/h4,7-10H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyNGLORZKXGFUHGQ-UHFFFAOYSA-N
XLogP2.86
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 126829171
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248
3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 126819592
2-[(4-ethenylphenyl)methylsulfanyl]-5-heptyl-1,3,4-oxadiazole
CID 71406063
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
CID 169370870
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
CID 163686771
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
CID 72923330
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide?
The IUPAC name of N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide (CID 126829172) is N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide.
What is the SMILES notation for N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide?
The canonical SMILES for N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide is C=Cc1ccc(S(=O)(=O)Nc2nnc(CCCC)o2)cc1.
What is the InChIKey of N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide?
The InChIKey is NGLORZKXGFUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-5-6-13-15-16-14(20-13)17-21(18,19)12-9-7-11(4-2)8-10-12/h4,7-10H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide?
N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide is sourced from PubChem (CID 126829172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).