2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide

C₁₃H₈F₅NO₃S — CID 10473251

About 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 10473251) has the molecular formula C₁₃H₈F₅NO₃S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide
• PubChem CID: 10473251
• Molecular Formula: C₁₃H₈F₅NO₃S
• Molecular Weight: 353.27 g/mol
• Exact Mass: 353.01
• IUPAC Name: 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide
• SMILES: COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
• InChI: InChI=1S/C13H8F5NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)9(15)8(14)10(16)12(13)18/h2-5,19H,1H3
• InChIKey: QBYINFJZJBSGFL-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.27
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?

The IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 10473251) is 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide.

What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?

The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.

What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?

The InChIKey is QBYINFJZJBSGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)9(15)8(14)10(16)12(13)18/h2-5,19H,1H3.

What are the key properties of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?

2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10473251 — identifiers, structure, computed properties (public domain)

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