P-Toluenesulfonylhydrazide

C₇H₁₀N₂O₂S — CID 15303

About P-Toluenesulfonylhydrazide

P-Toluenesulfonylhydrazide (PubChem CID 15303) has the molecular formula C₇H₁₀N₂O₂S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-methylbenzenesulfonohydrazide.

Molecular Properties

• Compound Name: P-Toluenesulfonylhydrazide
• PubChem CID: 15303
• Molecular Formula: C₇H₁₀N₂O₂S
• Molecular Weight: 186.24 g/mol
• Exact Mass: 186.05
• IUPAC Name: 4-methylbenzenesulfonohydrazide
• SMILES: Cc1ccc(S(=O)(=O)NN)cc1
• InChI: InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
• InChIKey: ICGLPKIVTVWCFT-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.24
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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 P-Toluenesulfonylhydrazide?

The IUPAC name of P-Toluenesulfonylhydrazide (CID 15303) is 4-methylbenzenesulfonohydrazide.

What is the SMILES notation for P-Toluenesulfonylhydrazide?

The canonical SMILES for P-Toluenesulfonylhydrazide is Cc1ccc(S(=O)(=O)NN)cc1.

What is the InChIKey of P-Toluenesulfonylhydrazide?

The InChIKey is ICGLPKIVTVWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3.

What are the key properties of P-Toluenesulfonylhydrazide?

P-Toluenesulfonylhydrazide has a molecular weight of 186.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for P-Toluenesulfonylhydrazide is sourced from PubChem (CID 15303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15303 — identifiers, structure, computed properties (public domain)

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