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

C16H21N3O5S — CID 110288398

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

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110288398) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 110288398
• Molecular Formula: C16H21N3O5S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.12
• IUPAC Name: N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: Cc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)OCCO3)o1
• InChI: InChI=1S/C16H21N3O5S/c1-10(2)8-13(16-18-17-11(3)24-16)19-25(20,21)12-4-5-14-15(9-12)23-7-6-22-14/h4-5,9-10,13,19H,6-8H2,1-3H3
• InChIKey: ZARNJJCREGJHHK-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110288398) is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

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

The canonical SMILES for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)OCCO3)o1.

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

The InChIKey is ZARNJJCREGJHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-10(2)8-13(16-18-17-11(3)24-16)19-25(20,21)12-4-5-14-15(9-12)23-7-6-22-14/h4-5,9-10,13,19H,6-8H2,1-3H3.

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

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110288398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).