3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C12H15N3O4S — CID 91907157

IUPAC3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCc2noc(C)n2)c1
InChIInChI=1S/C12H15N3O4S/c1-9-14-12(15-19-9)6-7-13-20(16,17)11-5-3-4-10(8-11)18-2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyRBGXENAAUMBOBP-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.91
Rot. Bonds6

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

3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 91907157) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID91907157
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCc2noc(C)n2)c1
InChIInChI=1S/C12H15N3O4S/c1-9-14-12(15-19-9)6-7-13-20(16,17)11-5-3-4-10(8-11)18-2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyRBGXENAAUMBOBP-UHFFFAOYSA-N
XLogP0.91
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 91907157) is 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCCc2noc(C)n2)c1.
What is the InChIKey of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is RBGXENAAUMBOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-9-14-12(15-19-9)6-7-13-20(16,17)11-5-3-4-10(8-11)18-2/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 91907157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).