P-Toluenesulfonamide

C₇H₉NO₂S — CID 6269

About P-Toluenesulfonamide

P-Toluenesulfonamide (PubChem CID 6269) has the molecular formula C₇H₉NO₂S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: P-Toluenesulfonamide
• PubChem CID: 6269
• Molecular Formula: C₇H₉NO₂S
• Molecular Weight: 171.22 g/mol
• Exact Mass: 171.04
• IUPAC Name: 4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(N)(=O)=O)cc1
• InChI: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
• InChIKey: LMYRWZFENFIFIT-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 60.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.22
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of P-Toluenesulfonamide?

The IUPAC name of P-Toluenesulfonamide (CID 6269) is 4-methylbenzenesulfonamide.

What is the SMILES notation for P-Toluenesulfonamide?

The canonical SMILES for P-Toluenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1.

What is the InChIKey of P-Toluenesulfonamide?

The InChIKey is LMYRWZFENFIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10).

What are the key properties of P-Toluenesulfonamide?

P-Toluenesulfonamide has a molecular weight of 171.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for P-Toluenesulfonamide is sourced from PubChem (CID 6269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6269 — identifiers, structure, computed properties (public domain)

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