2-(3-aminopropanoyl)-N-diazobenzenesulfonamide

C₉H₁₀N₄O₃S — CID 142695066

About 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide

2-(3-aminopropanoyl)-N-diazobenzenesulfonamide (PubChem CID 142695066) has the molecular formula C₉H₁₀N₄O₃S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide.

Molecular Properties

• Compound Name: 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
• PubChem CID: 142695066
• Molecular Formula: C₉H₁₀N₄O₃S
• Molecular Weight: 254.27 g/mol
• Exact Mass: 254.05
• IUPAC Name: 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
• SMILES: [N-]=[N+]=NS(=O)(=O)c1ccccc1C(=O)CCN
• InChI: InChI=1S/C9H10N4O3S/c10-6-5-8(14)7-3-1-2-4-9(7)17(15,16)13-12-11/h1-4H,5-6,10H2
• InChIKey: DYDDSYOQWPNDQN-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 125.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.27
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?

The IUPAC name of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide (CID 142695066) is 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide.

What is the SMILES notation for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?

The canonical SMILES for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccccc1C(=O)CCN.

What is the InChIKey of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?

The InChIKey is DYDDSYOQWPNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c10-6-5-8(14)7-3-1-2-4-9(7)17(15,16)13-12-11/h1-4H,5-6,10H2.

What are the key properties of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?

2-(3-aminopropanoyl)-N-diazobenzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide is sourced from PubChem (CID 142695066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142695066 — identifiers, structure, computed properties (public domain)

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