(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate

C₂₂H₁₉NO₅S — CID 55427927

About (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate

(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate (PubChem CID 55427927) has the molecular formula C₂₂H₁₉NO₅S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate.

Molecular Properties

• Compound Name: (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate
• PubChem CID: 55427927
• Molecular Formula: C₂₂H₁₉NO₅S
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.10
• IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate
• SMILES: Cc1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1S(N)(=O)=O
• InChI: InChI=1S/C22H19NO5S/c1-15-12-13-18(14-19(15)29(23,26)27)22(25)28-21(17-10-6-3-7-11-17)20(24)16-8-4-2-5-9-16/h2-14,21H,1H3,(H2,23,26,27)
• InChIKey: HHHJYKSKQKZDER-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 103.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate?

The IUPAC name of (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate (CID 55427927) is (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate.

What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate?

The canonical SMILES for (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate is Cc1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1S(N)(=O)=O.

What is the InChIKey of (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate?

The InChIKey is HHHJYKSKQKZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-15-12-13-18(14-19(15)29(23,26)27)22(25)28-21(17-10-6-3-7-11-17)20(24)16-8-4-2-5-9-16/h2-14,21H,1H3,(H2,23,26,27).

What are the key properties of (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate?

(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate has a molecular weight of 409.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate is sourced from PubChem (CID 55427927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55427927 — identifiers, structure, computed properties (public domain)

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