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

C17H18N4O4S — CID 110320600

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

4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320600) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
• PubChem CID: 110320600
• Molecular Formula: C17H18N4O4S
• Molecular Weight: 374.42 g/mol
• Exact Mass: 374.10
• IUPAC Name: 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccn3)o2)cc1C
• InChI: InChI=1S/C17H18N4O4S/c1-12-11-13(6-7-15(12)24-2)26(22,23)19-10-8-16-20-21-17(25-16)14-5-3-4-9-18-14/h3-7,9,11,19H,8,10H2,1-2H3
• InChIKey: QQOXWKQSBCCSIG-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 107.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.42
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320600) is 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccn3)o2)cc1C.

What is the InChIKey of 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The InChIKey is QQOXWKQSBCCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-12-11-13(6-7-15(12)24-2)26(22,23)19-10-8-16-20-21-17(25-16)14-5-3-4-9-18-14/h3-7,9,11,19H,8,10H2,1-2H3.

What are the key properties of 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).