JRSZOETZMGUNJS-UHFFFAOYSA-N

C₁₇H₁₄F₃N₃O₅S — CID 66908054

About JRSZOETZMGUNJS-UHFFFAOYSA-N

JRSZOETZMGUNJS-UHFFFAOYSA-N (PubChem CID 66908054) has the molecular formula C₁₇H₁₄F₃N₃O₅S and a molecular weight of 429.38 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

• Compound Name: JRSZOETZMGUNJS-UHFFFAOYSA-N
• PubChem CID: 66908054
• Molecular Formula: C₁₇H₁₄F₃N₃O₅S
• Molecular Weight: 429.38 g/mol
• Exact Mass: 429.06
• IUPAC Name: N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
• SMILES: O=C1NC(=O)C(CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1
• InChI: InChI=1S/C17H14F3N3O5S/c18-17(19,20)10-4-6-11(7-5-10)28-12-2-1-3-13(8-12)29(26,27)21-9-14-15(24)23-16(25)22-14/h1-8,14,21H,9H2,(H2,22,23,24,25)
• InChIKey: JRSZOETZMGUNJS-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.38
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of JRSZOETZMGUNJS-UHFFFAOYSA-N?

The IUPAC name of JRSZOETZMGUNJS-UHFFFAOYSA-N (CID 66908054) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

What is the SMILES notation for JRSZOETZMGUNJS-UHFFFAOYSA-N?

The canonical SMILES for JRSZOETZMGUNJS-UHFFFAOYSA-N is O=C1NC(=O)C(CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1.

What is the InChIKey of JRSZOETZMGUNJS-UHFFFAOYSA-N?

The InChIKey is JRSZOETZMGUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5S/c18-17(19,20)10-4-6-11(7-5-10)28-12-2-1-3-13(8-12)29(26,27)21-9-14-15(24)23-16(25)22-14/h1-8,14,21H,9H2,(H2,22,23,24,25).

What are the key properties of JRSZOETZMGUNJS-UHFFFAOYSA-N?

JRSZOETZMGUNJS-UHFFFAOYSA-N has a molecular weight of 429.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for JRSZOETZMGUNJS-UHFFFAOYSA-N is sourced from PubChem (CID 66908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66908054 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.