N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide

C22H32ClN3O3SSi — CID 155632621

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide (PubChem CID 155632621) has the molecular formula C22H32ClN3O3SSi and a molecular weight of 482.12 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
• PubChem CID: 155632621
• Molecular Formula: C22H32ClN3O3SSi
• Molecular Weight: 482.12 g/mol
• Exact Mass: 481.16
• IUPAC Name: N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(c3ccc(Cl)cc3)CC2)nc1
• InChI: InChI=1S/C22H32ClN3O3SSi/c1-22(2,3)31(4,5)29-19-10-11-21(24-16-19)25-30(27,28)20-12-14-26(15-13-20)18-8-6-17(23)7-9-18/h6-11,16,20H,12-15H2,1-5H3,(H,24,25)
• InChIKey: XHCMFSLCALHTDG-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.12
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide?

The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide (CID 155632621) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide.

What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide?

The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(c3ccc(Cl)cc3)CC2)nc1.

What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide?

The InChIKey is XHCMFSLCALHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3SSi/c1-22(2,3)31(4,5)29-19-10-11-21(24-16-19)25-30(27,28)20-12-14-26(15-13-20)18-8-6-17(23)7-9-18/h6-11,16,20H,12-15H2,1-5H3,(H,24,25).

What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide?

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide has a molecular weight of 482.12 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide is sourced from PubChem (CID 155632621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).