4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide

C24H20F2N6O4S — CID 156776075

About 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide

4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide (PubChem CID 156776075) has the molecular formula C24H20F2N6O4S and a molecular weight of 526.53 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
• PubChem CID: 156776075
• Molecular Formula: C24H20F2N6O4S
• Molecular Weight: 526.53 g/mol
• Exact Mass: 526.12
• IUPAC Name: 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
• SMILES: CC(CNS(=O)(=O)c1ccc(F)cc1)Nc1nccc(-c2c(-c3ccc(F)c(O)c3)nc3occn23)n1
• InChI: InChI=1S/C24H20F2N6O4S/c1-14(13-28-37(34,35)17-5-3-16(25)4-6-17)29-23-27-9-8-19(30-23)22-21(31-24-32(22)10-11-36-24)15-2-7-18(26)20(33)12-15/h2-12,14,28,33H,13H2,1H3,(H,27,29,30)
• InChIKey: QXNAVHNFBTYZRZ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 134.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.53
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?

The IUPAC name of 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide (CID 156776075) is 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide.

What is the SMILES notation for 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?

The canonical SMILES for 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(F)cc1)Nc1nccc(-c2c(-c3ccc(F)c(O)c3)nc3occn23)n1.

What is the InChIKey of 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?

The InChIKey is QXNAVHNFBTYZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O4S/c1-14(13-28-37(34,35)17-5-3-16(25)4-6-17)29-23-27-9-8-19(30-23)22-21(31-24-32(22)10-11-36-24)15-2-7-18(26)20(33)12-15/h2-12,14,28,33H,13H2,1H3,(H,27,29,30).

What are the key properties of 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?

4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide has a molecular weight of 526.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 156776075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).