1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole

C₂₂H₂₈N₂O₂S — CID 155553745

About 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole

1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155553745) has the molecular formula C₂₂H₂₈N₂O₂S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
• PubChem CID: 155553745
• Molecular Formula: C₂₂H₂₈N₂O₂S
• Molecular Weight: 384.55 g/mol
• Exact Mass: 384.19
• IUPAC Name: 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
• SMILES: CCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
• InChI: InChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3
• InChIKey: OQBXWWGQCMPQTM-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.55
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?

The IUPAC name of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole (CID 155553745) is 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole.

What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?

The canonical SMILES for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole is CCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1.

What is the InChIKey of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?

The InChIKey is OQBXWWGQCMPQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3.

What are the key properties of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?

1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 384.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155553745 — identifiers, structure, computed properties (public domain)

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