6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide

C₁₄H₂₃N₃O₃S — CID 60944515

About 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide

6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide (PubChem CID 60944515) has the molecular formula C₁₄H₂₃N₃O₃S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide.

Molecular Properties

• Compound Name: 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
• PubChem CID: 60944515
• Molecular Formula: C₁₄H₂₃N₃O₃S
• Molecular Weight: 313.42 g/mol
• Exact Mass: 313.15
• IUPAC Name: 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
• SMILES: CCS(=O)(=O)Nc1ccc(NC(=O)CCCCCN)cc1
• InChI: InChI=1S/C14H23N3O3S/c1-2-21(19,20)17-13-9-7-12(8-10-13)16-14(18)6-4-3-5-11-15/h7-10,17H,2-6,11,15H2,1H3,(H,16,18)
• InChIKey: CYZXWYFXAYIHNO-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 101.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.42
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?

The IUPAC name of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide (CID 60944515) is 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide.

What is the SMILES notation for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?

The canonical SMILES for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCCCCN)cc1.

What is the InChIKey of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?

The InChIKey is CYZXWYFXAYIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-21(19,20)17-13-9-7-12(8-10-13)16-14(18)6-4-3-5-11-15/h7-10,17H,2-6,11,15H2,1H3,(H,16,18).

What are the key properties of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?

6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide has a molecular weight of 313.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide is sourced from PubChem (CID 60944515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60944515 — identifiers, structure, computed properties (public domain)

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