4-chloro-N-isoquinolin-8-ylbenzenesulfinamide

C₁₅H₁₁ClN₂OS — CID 121325457

About 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide

4-chloro-N-isoquinolin-8-ylbenzenesulfinamide (PubChem CID 121325457) has the molecular formula C₁₅H₁₁ClN₂OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide.

Molecular Properties

• Compound Name: 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide
• PubChem CID: 121325457
• Molecular Formula: C₁₅H₁₁ClN₂OS
• Molecular Weight: 302.79 g/mol
• Exact Mass: 302.03
• IUPAC Name: 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide
• SMILES: O=S(Nc1cccc2ccncc12)c1ccc(Cl)cc1
• InChI: InChI=1S/C15H11ClN2OS/c16-12-4-6-13(7-5-12)20(19)18-15-3-1-2-11-8-9-17-10-14(11)15/h1-10,18H
• InChIKey: ZRGMZBBJIQALFI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.79
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?

The IUPAC name of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide (CID 121325457) is 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide.

What is the SMILES notation for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?

The canonical SMILES for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide is O=S(Nc1cccc2ccncc12)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?

The InChIKey is ZRGMZBBJIQALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-4-6-13(7-5-12)20(19)18-15-3-1-2-11-8-9-17-10-14(11)15/h1-10,18H.

What are the key properties of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?

4-chloro-N-isoquinolin-8-ylbenzenesulfinamide has a molecular weight of 302.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide is sourced from PubChem (CID 121325457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121325457 — identifiers, structure, computed properties (public domain)

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