(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate

C₁₆H₁₆ClNO₅S — CID 110671021

About (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate

(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate (PubChem CID 110671021) has the molecular formula C₁₆H₁₆ClNO₅S and a molecular weight of 369.83 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate.

Molecular Properties

• Compound Name: (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
• PubChem CID: 110671021
• Molecular Formula: C₁₆H₁₆ClNO₅S
• Molecular Weight: 369.83 g/mol
• Exact Mass: 369.04
• IUPAC Name: (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
• SMILES: COc1ccccc1OC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1
• InChI: InChI=1S/C16H16ClNO5S/c1-22-14-4-2-3-5-15(14)23-16(19)10-18-24(20,21)11-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3
• InChIKey: LBKXEOZHUSVKIP-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.83
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?

The IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate (CID 110671021) is (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate.

What is the SMILES notation for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?

The canonical SMILES for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate is COc1ccccc1OC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1.

What is the InChIKey of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?

The InChIKey is LBKXEOZHUSVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-22-14-4-2-3-5-15(14)23-16(19)10-18-24(20,21)11-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3.

What are the key properties of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?

(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate has a molecular weight of 369.83 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate is sourced from PubChem (CID 110671021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110671021 — identifiers, structure, computed properties (public domain)

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