2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

C24H24ClIN4O3S — CID 163663718

About 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide

2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (PubChem CID 163663718) has the molecular formula C24H24ClIN4O3S and a molecular weight of 610.91 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
• PubChem CID: 163663718
• Molecular Formula: C24H24ClIN4O3S
• Molecular Weight: 610.91 g/mol
• Exact Mass: 610.03
• IUPAC Name: 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
• SMILES: Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2ccc(I)cc2Cl)c1
• InChI: InChI=1S/C24H24ClIN4O3S/c1-29-14-22(27-15-29)34(32,33)30-10-8-24(9-11-30)19-5-3-2-4-16(19)12-21(24)28-23(31)18-7-6-17(26)13-20(18)25/h2-7,13-15,21H,8-12H2,1H3,(H,28,31)
• InChIKey: IWOFZCUMAFXGDH-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.91
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The IUPAC name of 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide (CID 163663718) is 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide.

What is the SMILES notation for 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The canonical SMILES for 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is Cn1cnc(S(=O)(=O)N2CCC3(CC2)c2ccccc2CC3NC(=O)c2ccc(I)cc2Cl)c1.

What is the InChIKey of 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

The InChIKey is IWOFZCUMAFXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClIN4O3S/c1-29-14-22(27-15-29)34(32,33)30-10-8-24(9-11-30)19-5-3-2-4-16(19)12-21(24)28-23(31)18-7-6-17(26)13-20(18)25/h2-7,13-15,21H,8-12H2,1H3,(H,28,31).

What are the key properties of 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide?

2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide has a molecular weight of 610.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide is sourced from PubChem (CID 163663718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).