5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide

C₁₀H₁₉BrN₄O₂S — CID 106467722

About 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide

5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide (PubChem CID 106467722) has the molecular formula C₁₀H₁₉BrN₄O₂S and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide.

Molecular Properties

• Compound Name: 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
• PubChem CID: 106467722
• Molecular Formula: C₁₀H₁₉BrN₄O₂S
• Molecular Weight: 339.26 g/mol
• Exact Mass: 338.04
• IUPAC Name: 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
• SMILES: CC(N(C)S(=O)(=O)c1c(Br)nnn1C)C(C)(C)C
• InChI: InChI=1S/C10H19BrN4O2S/c1-7(10(2,3)4)15(6)18(16,17)9-8(11)12-13-14(9)5/h7H,1-6H3
• InChIKey: FDHXHGUVHXGAIJ-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.26
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?

The IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide (CID 106467722) is 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide.

What is the SMILES notation for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?

The canonical SMILES for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide is CC(N(C)S(=O)(=O)c1c(Br)nnn1C)C(C)(C)C.

What is the InChIKey of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?

The InChIKey is FDHXHGUVHXGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O2S/c1-7(10(2,3)4)15(6)18(16,17)9-8(11)12-13-14(9)5/h7H,1-6H3.

What are the key properties of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?

5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide has a molecular weight of 339.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide is sourced from PubChem (CID 106467722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106467722 — identifiers, structure, computed properties (public domain)

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