2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide

C₁₅H₁₈N₂O₃S — CID 61126103

About 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide

2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 61126103) has the molecular formula C₁₅H₁₈N₂O₃S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
• PubChem CID: 61126103
• Molecular Formula: C₁₅H₁₈N₂O₃S
• Molecular Weight: 306.39 g/mol
• Exact Mass: 306.10
• IUPAC Name: 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
• SMILES: CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1
• InChI: InChI=1S/C15H18N2O3S/c1-3-20-13-6-4-5-12(10-13)17-21(18,19)15-8-7-11(2)9-14(15)16/h4-10,17H,3,16H2,1-2H3
• InChIKey: YVTXCMLCRIDLSD-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.39
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?

The IUPAC name of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (CID 61126103) is 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.

What is the SMILES notation for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?

The canonical SMILES for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1.

What is the InChIKey of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?

The InChIKey is YVTXCMLCRIDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-13-6-4-5-12(10-13)17-21(18,19)15-8-7-11(2)9-14(15)16/h4-10,17H,3,16H2,1-2H3.

What are the key properties of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?

2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61126103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61126103 — identifiers, structure, computed properties (public domain)

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