2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide

C13H17N3O4S — CID 82917133

IUPAC2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCCc1nc(COc2c(C)cc(C)cc2S(N)(=O)=O)no1
InChIInChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-13-9(3)5-8(2)6-10(13)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18)
InChIKeyMADVEBKNZCYKKK-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.48
Rot. Bonds5

About 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide (PubChem CID 82917133) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide
PubChem CID82917133
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCCc1nc(COc2c(C)cc(C)cc2S(N)(=O)=O)no1
InChIInChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-13-9(3)5-8(2)6-10(13)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18)
InChIKeyMADVEBKNZCYKKK-UHFFFAOYSA-N
XLogP1.48
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide (CID 82917133) is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide is CCc1nc(COc2c(C)cc(C)cc2S(N)(=O)=O)no1.
What is the InChIKey of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The InChIKey is MADVEBKNZCYKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-13-9(3)5-8(2)6-10(13)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 82917133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).