1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

C19H26FN5O3S — CID 137404008

About 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (PubChem CID 137404008) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
• PubChem CID: 137404008
• Molecular Formula: C19H26FN5O3S
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.17
• IUPAC Name: 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
• SMILES: CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1nnccc1N(C)C
• InChI: InChI=1S/C19H26FN5O3S/c1-11(2)14-9-13(20)10-15(12(3)4)17(14)22-19(26)24-29(27,28)18-16(25(5)6)7-8-21-23-18/h7-12H,1-6H3,(H2,22,24,26)
• InChIKey: ZHDZFZNRRSTFGV-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?

The IUPAC name of 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (CID 137404008) is 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.

What is the SMILES notation for 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?

The canonical SMILES for 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1nnccc1N(C)C.

What is the InChIKey of 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?

The InChIKey is ZHDZFZNRRSTFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-11(2)14-9-13(20)10-15(12(3)4)17(14)22-19(26)24-29(27,28)18-16(25(5)6)7-8-21-23-18/h7-12H,1-6H3,(H2,22,24,26).

What are the key properties of 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?

1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 423.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 137404008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).