N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide

C18H15N3O6S — CID 7267152

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (PubChem CID 7267152) has the molecular formula C18H15N3O6S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
• PubChem CID: 7267152
• Molecular Formula: C18H15N3O6S
• Molecular Weight: 401.40 g/mol
• Exact Mass: 401.07
• IUPAC Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
• SMILES: CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1
• InChI: InChI=1S/C18H15N3O6S/c1-28(23,24)13-4-2-3-11(9-13)16(22)19-18-21-20-17(27-18)12-5-6-14-15(10-12)26-8-7-25-14/h2-6,9-10H,7-8H2,1H3,(H,19,21,22)
• InChIKey: OQZVPBNNALQWOA-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 120.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?

The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (CID 7267152) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.

What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?

The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1.

What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?

The InChIKey is OQZVPBNNALQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S/c1-28(23,24)13-4-2-3-11(9-13)16(22)19-18-21-20-17(27-18)12-5-6-14-15(10-12)26-8-7-25-14/h2-6,9-10H,7-8H2,1H3,(H,19,21,22).

What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 401.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 7267152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).