2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane

C24H32ClN3O2S — CID 155878255

About 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane

2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 155878255) has the molecular formula C24H32ClN3O2S and a molecular weight of 462.06 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
• PubChem CID: 155878255
• Molecular Formula: C24H32ClN3O2S
• Molecular Weight: 462.06 g/mol
• Exact Mass: 461.19
• IUPAC Name: 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
• SMILES: Cc1cccc(CN2CCCC3(CCCN(S(=O)(=O)c4cc(C)c(Cl)cc4C)C3)C2)n1
• InChI: InChI=1S/C24H32ClN3O2S/c1-18-14-23(19(2)13-22(18)25)31(29,30)28-12-6-10-24(17-28)9-5-11-27(16-24)15-21-8-4-7-20(3)26-21/h4,7-8,13-14H,5-6,9-12,15-17H2,1-3H3
• InChIKey: OXCPLAOYWZKNSW-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.06
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?

The IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane (CID 155878255) is 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane.

What is the SMILES notation for 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?

The canonical SMILES for 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane is Cc1cccc(CN2CCCC3(CCCN(S(=O)(=O)c4cc(C)c(Cl)cc4C)C3)C2)n1.

What is the InChIKey of 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?

The InChIKey is OXCPLAOYWZKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2S/c1-18-14-23(19(2)13-22(18)25)31(29,30)28-12-6-10-24(17-28)9-5-11-27(16-24)15-21-8-4-7-20(3)26-21/h4,7-8,13-14H,5-6,9-12,15-17H2,1-3H3.

What are the key properties of 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?

2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 462.06 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 155878255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).