4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

C25H25F2N3O3S — CID 30143593

About 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 30143593) has the molecular formula C25H25F2N3O3S and a molecular weight of 485.56 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
• PubChem CID: 30143593
• Molecular Formula: C25H25F2N3O3S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.16
• IUPAC Name: 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
• SMILES: O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1
• InChI: InChI=1S/C25H25F2N3O3S/c26-20-10-12-21(13-11-20)34(32,33)28-23(18-19-6-2-1-3-7-19)25(31)30-16-14-29(15-17-30)24-9-5-4-8-22(24)27/h1-13,23,28H,14-18H2/t23-/m0/s1
• InChIKey: OSMYLHCHINYKRI-QHCPKHFHSA-N
• XLogP: 3.20
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?

The IUPAC name of 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (CID 30143593) is 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.

What is the InChIKey of 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?

The InChIKey is OSMYLHCHINYKRI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25F2N3O3S/c26-20-10-12-21(13-11-20)34(32,33)28-23(18-19-6-2-1-3-7-19)25(31)30-16-14-29(15-17-30)24-9-5-4-8-22(24)27/h1-13,23,28H,14-18H2/t23-/m0/s1.

What are the key properties of 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?

4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 485.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30143593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).