N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H19N3O5S — CID 71797281

About N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 71797281) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 71797281
• Molecular Formula: C18H19N3O5S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: Cn1cc(-c2ccco2)nc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H19N3O5S/c1-21-12-14(15-3-2-8-24-15)20-18(21)6-7-19-27(22,23)13-4-5-16-17(11-13)26-10-9-25-16/h2-5,8,11-12,19H,6-7,9-10H2,1H3
• InChIKey: MFDGTRGUHMHZFK-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 95.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 71797281) is N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

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

The canonical SMILES for N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cn1cc(-c2ccco2)nc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2.

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

The InChIKey is MFDGTRGUHMHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-21-12-14(15-3-2-8-24-15)20-18(21)6-7-19-27(22,23)13-4-5-16-17(11-13)26-10-9-25-16/h2-5,8,11-12,19H,6-7,9-10H2,1H3.

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

N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 71797281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).