Chlorisondamine

C₁₄H₂₀Cl₄N₂+2 — CID 6244

About Chlorisondamine

Chlorisondamine (PubChem CID 6244) has the molecular formula C₁₄H₂₀Cl₄N₂+2 and a molecular weight of 358.14 g/mol. Its IUPAC name is trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium.

Molecular Properties

• Compound Name: Chlorisondamine
• PubChem CID: 6244
• Molecular Formula: C₁₄H₂₀Cl₄N₂+2
• Molecular Weight: 358.14 g/mol
• Exact Mass: 356.04
• IUPAC Name: trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium
• SMILES: C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1
• InChI: InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2
• InChIKey: IXWDUZLHWJKVPX-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.14
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Chlorisondamine?

The IUPAC name of Chlorisondamine (CID 6244) is trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium.

What is the SMILES notation for Chlorisondamine?

The canonical SMILES for Chlorisondamine is C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1.

What is the InChIKey of Chlorisondamine?

The InChIKey is IXWDUZLHWJKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2.

What are the key properties of Chlorisondamine?

Chlorisondamine has a molecular weight of 358.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorisondamine is sourced from PubChem (CID 6244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6244 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 598 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.