(2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C23H23FN4O4S — CID 41241451

About (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 41241451) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 41241451
• Molecular Formula: C23H23FN4O4S
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.14
• IUPAC Name: (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cc2C[C@@H]1C
• InChI: InChI=1S/C23H23FN4O4S/c1-15-13-18-14-20(7-9-22(18)28(15)16(2)29)33(31,32)25-11-12-27-23(30)10-8-21(26-27)17-3-5-19(24)6-4-17/h3-10,14-15,25H,11-13H2,1-2H3/t15-/m0/s1
• InChIKey: IGLDDJDHVWBZMW-HNNXBMFYSA-N
• XLogP: 2.33
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 41241451) is (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cc2C[C@@H]1C.

What is the InChIKey of (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

The InChIKey is IGLDDJDHVWBZMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-15-13-18-14-20(7-9-22(18)28(15)16(2)29)33(31,32)25-11-12-27-23(30)10-8-21(26-27)17-3-5-19(24)6-4-17/h3-10,14-15,25H,11-13H2,1-2H3/t15-/m0/s1.

What are the key properties of (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?

(2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 470.53 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 41241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).