2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide

C24H21F4N3O3S — CID 74372625

About 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide

2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide (PubChem CID 74372625) has the molecular formula C24H21F4N3O3S and a molecular weight of 507.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide
• PubChem CID: 74372625
• Molecular Formula: C24H21F4N3O3S
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.12
• IUPAC Name: 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide
• SMILES: CC(NS(=O)(=O)CC(F)(F)F)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
• InChI: InChI=1S/C24H21F4N3O3S/c1-16(30-35(32,33)15-24(26,27)28)23(17-5-3-2-4-6-17)34-21-11-12-22-18(13-21)14-29-31(22)20-9-7-19(25)8-10-20/h2-14,16,23,30H,15H2,1H3
• InChIKey: RIGWRUKOHHLNHP-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide?

The IUPAC name of 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide (CID 74372625) is 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide?

The canonical SMILES for 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide is CC(NS(=O)(=O)CC(F)(F)F)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.

What is the InChIKey of 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide?

The InChIKey is RIGWRUKOHHLNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O3S/c1-16(30-35(32,33)15-24(26,27)28)23(17-5-3-2-4-6-17)34-21-11-12-22-18(13-21)14-29-31(22)20-9-7-19(25)8-10-20/h2-14,16,23,30H,15H2,1H3.

What are the key properties of 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide?

2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide has a molecular weight of 507.51 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 74372625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).