N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H16N4O5S — CID 110320750

About N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110320750) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 110320750
• Molecular Formula: C17H16N4O5S
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.08
• IUPAC Name: N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: O=S(=O)(NCCc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C17H16N4O5S/c22-27(23,13-3-4-14-15(10-13)25-9-8-24-14)19-7-5-16-20-21-17(26-16)12-2-1-6-18-11-12/h1-4,6,10-11,19H,5,7-9H2
• InChIKey: CAUAMXLUEHTOTH-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 116.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The IUPAC name of N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110320750) is N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

What is the SMILES notation for N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The canonical SMILES for N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCCc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The InChIKey is CAUAMXLUEHTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c22-27(23,13-3-4-14-15(10-13)25-9-8-24-14)19-7-5-16-20-21-17(26-16)12-2-1-6-18-11-12/h1-4,6,10-11,19H,5,7-9H2.

What are the key properties of N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 388.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110320750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).