1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone

C25H26ClN5O3S — CID 121060677

About 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 121060677) has the molecular formula C25H26ClN5O3S and a molecular weight of 512.04 g/mol. Its IUPAC name is 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 121060677
• Molecular Formula: C25H26ClN5O3S
• Molecular Weight: 512.04 g/mol
• Exact Mass: 511.14
• IUPAC Name: 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)cc2CC1C
• InChI: InChI=1S/C25H26ClN5O3S/c1-17-15-20-16-22(7-9-24(20)31(17)18(2)32)35(33,34)30-13-11-29(12-14-30)25-10-8-23(27-28-25)19-3-5-21(26)6-4-19/h3-10,16-17H,11-15H2,1-2H3
• InChIKey: QZTYESHBPUTAEC-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 86.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.04
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 121060677) is 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)cc2CC1C.

What is the InChIKey of 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is QZTYESHBPUTAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3S/c1-17-15-20-16-22(7-9-24(20)31(17)18(2)32)35(33,34)30-13-11-29(12-14-30)25-10-8-23(27-28-25)19-3-5-21(26)6-4-19/h3-10,16-17H,11-15H2,1-2H3.

What are the key properties of 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone?

1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 512.04 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 121060677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).