Sulconazole

C₁₈H₁₅Cl₃N₂S — CID 6604421

About Sulconazole

Sulconazole (PubChem CID 6604421) has the molecular formula C₁₈H₁₅Cl₃N₂S and a molecular weight of 397.76 g/mol. Its IUPAC name is 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

• Compound Name: Sulconazole
• PubChem CID: 6604421
• Molecular Formula: C₁₈H₁₅Cl₃N₂S
• Molecular Weight: 397.76 g/mol
• Exact Mass: 396.00
• IUPAC Name: 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
• SMILES: Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
• InChIKey: AFNXATANNDIXLG-SFHVURJKSA-N
• XLogP: 6.52
• TPSA: 17.82 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.76
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Sulconazole?

The IUPAC name of Sulconazole (CID 6604421) is 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole.

What is the SMILES notation for Sulconazole?

The canonical SMILES for Sulconazole is Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of Sulconazole?

The InChIKey is AFNXATANNDIXLG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1.

What are the key properties of Sulconazole?

Sulconazole has a molecular weight of 397.76 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sulconazole is sourced from PubChem (CID 6604421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6604421 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2495 — approved-drug record (CC BY-SA 4.0)

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