N-(2-sulfonylethyl)benzamide

C₉H₉NO₃S — CID 151291647

About N-(2-sulfonylethyl)benzamide

N-(2-sulfonylethyl)benzamide (PubChem CID 151291647) has the molecular formula C₉H₉NO₃S and a molecular weight of 211.24 g/mol. Its IUPAC name is N-(2-sulfonylethyl)benzamide.

Molecular Properties

• Compound Name: N-(2-sulfonylethyl)benzamide
• PubChem CID: 151291647
• Molecular Formula: C₉H₉NO₃S
• Molecular Weight: 211.24 g/mol
• Exact Mass: 211.03
• IUPAC Name: N-(2-sulfonylethyl)benzamide
• SMILES: O=C(NCC=S(=O)=O)c1ccccc1
• InChI: InChI=1S/C9H9NO3S/c11-9(10-6-7-14(12)13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
• InChIKey: OANVYQPIJXQPRH-UHFFFAOYSA-N
• XLogP: 0.10
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.24
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfonylethyl)benzamide?

The IUPAC name of N-(2-sulfonylethyl)benzamide (CID 151291647) is N-(2-sulfonylethyl)benzamide.

What is the SMILES notation for N-(2-sulfonylethyl)benzamide?

The canonical SMILES for N-(2-sulfonylethyl)benzamide is O=C(NCC=S(=O)=O)c1ccccc1.

What is the InChIKey of N-(2-sulfonylethyl)benzamide?

The InChIKey is OANVYQPIJXQPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-9(10-6-7-14(12)13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11).

What are the key properties of N-(2-sulfonylethyl)benzamide?

N-(2-sulfonylethyl)benzamide has a molecular weight of 211.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-sulfonylethyl)benzamide is sourced from PubChem (CID 151291647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151291647 — identifiers, structure, computed properties (public domain)

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