Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate

C₁₈H₁₉N₃O₆S — CID 122266198

About Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate

Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate (PubChem CID 122266198) has the molecular formula C₁₈H₁₉N₃O₆S and a molecular weight of 405.43 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate.

Molecular Properties

• Compound Name: Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
• PubChem CID: 122266198
• Molecular Formula: C₁₈H₁₉N₃O₆S
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.10
• IUPAC Name: methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
• SMILES: COC(=O)c1ccc(OC)c(S(=O)(=O)NCC(c2ccco2)n2cccn2)c1
• InChI: InChI=1S/C18H19N3O6S/c1-25-16-7-6-13(18(22)26-2)11-17(16)28(23,24)20-12-14(15-5-3-10-27-15)21-9-4-8-19-21/h3-11,14,20H,12H2,1-2H3
• InChIKey: CWWXPIYMSDLTID-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 112.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?

The IUPAC name of Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate (CID 122266198) is methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate.

What is the SMILES notation for Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?

The canonical SMILES for Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)NCC(c2ccco2)n2cccn2)c1.

What is the InChIKey of Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?

The InChIKey is CWWXPIYMSDLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-25-16-7-6-13(18(22)26-2)11-17(16)28(23,24)20-12-14(15-5-3-10-27-15)21-9-4-8-19-21/h3-11,14,20H,12H2,1-2H3.

What are the key properties of Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?

Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate has a molecular weight of 405.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 122266198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122266198 — identifiers, structure, computed properties (public domain)

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