N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide

C₁₂H₂₀N₄O₃S — CID 106340904

About N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide

N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide (PubChem CID 106340904) has the molecular formula C₁₂H₂₀N₄O₃S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
• PubChem CID: 106340904
• Molecular Formula: C₁₂H₂₀N₄O₃S
• Molecular Weight: 300.38 g/mol
• Exact Mass: 300.13
• IUPAC Name: N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
• SMILES: CCNS(=O)(=O)CCNC(=O)c1cc(C)ccc1NN
• InChI: InChI=1S/C12H20N4O3S/c1-3-15-20(18,19)7-6-14-12(17)10-8-9(2)4-5-11(10)16-13/h4-5,8,15-16H,3,6-7,13H2,1-2H3,(H,14,17)
• InChIKey: FRBKNPNKOZCJBC-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 113.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.38
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide?

The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide (CID 106340904) is N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide.

What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide?

The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide is CCNS(=O)(=O)CCNC(=O)c1cc(C)ccc1NN.

What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide?

The InChIKey is FRBKNPNKOZCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-15-20(18,19)7-6-14-12(17)10-8-9(2)4-5-11(10)16-13/h4-5,8,15-16H,3,6-7,13H2,1-2H3,(H,14,17).

What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide?

N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of -0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 106340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106340904 — identifiers, structure, computed properties (public domain)

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