4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C14H17N3O3S — CID 126829171

IUPAC4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1
InChIInChI=1S/C14H17N3O3S/c1-4-11-5-7-12(8-6-11)21(18,19)17-14-16-15-13(20-14)9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,16,17)
InChIKeyADKRWZYMDHRKSM-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.71
Rot. Bonds6

About 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 126829171) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID126829171
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1
InChIInChI=1S/C14H17N3O3S/c1-4-11-5-7-12(8-6-11)21(18,19)17-14-16-15-13(20-14)9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,16,17)
InChIKeyADKRWZYMDHRKSM-UHFFFAOYSA-N
XLogP2.71
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 126829171) is 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is C=Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1.
What is the InChIKey of 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is ADKRWZYMDHRKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-11-5-7-12(8-6-11)21(18,19)17-14-16-15-13(20-14)9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,16,17).
What are the key properties of 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 126829171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).