1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

C24H24FN5O3S — CID 122310997

About 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (PubChem CID 122310997) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
• PubChem CID: 122310997
• Molecular Formula: C24H24FN5O3S
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.16
• IUPAC Name: 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
• SMILES: Cc1nc(Oc2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2)cc(-n2nc(C)c(C)c2C)n1
• InChI: InChI=1S/C24H24FN5O3S/c1-15-16(2)28-30(17(15)3)23-13-24(27-18(4)26-23)33-22-10-8-21(9-11-22)29-34(31,32)14-19-6-5-7-20(25)12-19/h5-13,29H,14H2,1-4H3
• InChIKey: QAWSOHCOSPJWGL-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?

The IUPAC name of 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (CID 122310997) is 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.

What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?

The canonical SMILES for 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2)cc(-n2nc(C)c(C)c2C)n1.

What is the InChIKey of 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?

The InChIKey is QAWSOHCOSPJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-15-16(2)28-30(17(15)3)23-13-24(27-18(4)26-23)33-22-10-8-21(9-11-22)29-34(31,32)14-19-6-5-7-20(25)12-19/h5-13,29H,14H2,1-4H3.

What are the key properties of 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?

1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide has a molecular weight of 481.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 122310997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).