N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C₁₆H₂₃N₃O₂S — CID 22206016

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22206016) has the molecular formula C₁₆H₂₃N₃O₂S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
• PubChem CID: 22206016
• Molecular Formula: C₁₆H₂₃N₃O₂S
• Molecular Weight: 321.45 g/mol
• Exact Mass: 321.15
• IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
• SMILES: Cc1cc(C)c(C)c(S(=O)(=O)NCc2cc(C)n(C)n2)c1C
• InChI: InChI=1S/C16H23N3O2S/c1-10-7-11(2)14(5)16(13(10)4)22(20,21)17-9-15-8-12(3)19(6)18-15/h7-8,17H,9H2,1-6H3
• InChIKey: DXJCJHVHWLZGEN-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.45
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?

The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22206016) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?

The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2cc(C)n(C)n2)c1C.

What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?

The InChIKey is DXJCJHVHWLZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-7-11(2)14(5)16(13(10)4)22(20,21)17-9-15-8-12(3)19(6)18-15/h7-8,17H,9H2,1-6H3.

What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22206016 — identifiers, structure, computed properties (public domain)

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