1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea

C₁₇H₂₂N₄O₃S — CID 155068943

About 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea (PubChem CID 155068943) has the molecular formula C₁₇H₂₂N₄O₃S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
• PubChem CID: 155068943
• Molecular Formula: C₁₇H₂₂N₄O₃S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.14
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccnn1
• InChI: InChI=1S/C17H22N4O3S/c1-11(2)13-7-5-8-14(12(3)4)16(13)19-17(22)21-25(23,24)15-9-6-10-18-20-15/h5-12H,1-4H3,(H2,19,21,22)
• InChIKey: GEODDKFUHHCRNZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea (CID 155068943) is 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccnn1.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?

The InChIKey is GEODDKFUHHCRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(2)13-7-5-8-14(12(3)4)16(13)19-17(22)21-25(23,24)15-9-6-10-18-20-15/h5-12H,1-4H3,(H2,19,21,22).

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?

1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea has a molecular weight of 362.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea is sourced from PubChem (CID 155068943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155068943 — identifiers, structure, computed properties (public domain)

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