N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H19N3O5S2 — CID 121018551

About N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 121018551) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

• Compound Name: N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
• PubChem CID: 121018551
• Molecular Formula: C17H19N3O5S2
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.08
• IUPAC Name: N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
• SMILES: CN1c2ccccc2N(CCNS(=O)(=O)c2ccc3c(c2)CCO3)S1(=O)=O
• InChI: InChI=1S/C17H19N3O5S2/c1-19-15-4-2-3-5-16(15)20(27(19,23)24)10-9-18-26(21,22)14-6-7-17-13(12-14)8-11-25-17/h2-7,12,18H,8-11H2,1H3
• InChIKey: IAGWLMHQYLZMHO-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 121018551) is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

What is the SMILES notation for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The canonical SMILES for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CN1c2ccccc2N(CCNS(=O)(=O)c2ccc3c(c2)CCO3)S1(=O)=O.

What is the InChIKey of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The InChIKey is IAGWLMHQYLZMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-19-15-4-2-3-5-16(15)20(27(19,23)24)10-9-18-26(21,22)14-6-7-17-13(12-14)8-11-25-17/h2-7,12,18H,8-11H2,1H3.

What are the key properties of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 409.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 121018551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).