1-(4-methoxybutyl)indole-3-sulfonamide

C₁₃H₁₈N₂O₃S — CID 113437295

About 1-(4-methoxybutyl)indole-3-sulfonamide

1-(4-methoxybutyl)indole-3-sulfonamide (PubChem CID 113437295) has the molecular formula C₁₃H₁₈N₂O₃S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-methoxybutyl)indole-3-sulfonamide.

Molecular Properties

• Compound Name: 1-(4-methoxybutyl)indole-3-sulfonamide
• PubChem CID: 113437295
• Molecular Formula: C₁₃H₁₈N₂O₃S
• Molecular Weight: 282.37 g/mol
• Exact Mass: 282.10
• IUPAC Name: 1-(4-methoxybutyl)indole-3-sulfonamide
• SMILES: COCCCCn1cc(S(N)(=O)=O)c2ccccc21
• InChI: InChI=1S/C13H18N2O3S/c1-18-9-5-4-8-15-10-13(19(14,16)17)11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16,17)
• InChIKey: XQMNNSQFAQUYAZ-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 74.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.37
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)indole-3-sulfonamide?

The IUPAC name of 1-(4-methoxybutyl)indole-3-sulfonamide (CID 113437295) is 1-(4-methoxybutyl)indole-3-sulfonamide.

What is the SMILES notation for 1-(4-methoxybutyl)indole-3-sulfonamide?

The canonical SMILES for 1-(4-methoxybutyl)indole-3-sulfonamide is COCCCCn1cc(S(N)(=O)=O)c2ccccc21.

What is the InChIKey of 1-(4-methoxybutyl)indole-3-sulfonamide?

The InChIKey is XQMNNSQFAQUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-9-5-4-8-15-10-13(19(14,16)17)11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16,17).

What are the key properties of 1-(4-methoxybutyl)indole-3-sulfonamide?

1-(4-methoxybutyl)indole-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxybutyl)indole-3-sulfonamide is sourced from PubChem (CID 113437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113437295 — identifiers, structure, computed properties (public domain)

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