YFRJQQJICVKCIY-UHFFFAOYSA-N

C₂₄H₁₉F₃N₄O₆S₂ — CID 152511869

About YFRJQQJICVKCIY-UHFFFAOYSA-N

YFRJQQJICVKCIY-UHFFFAOYSA-N (PubChem CID 152511869) has the molecular formula C₂₄H₁₉F₃N₄O₆S₂ and a molecular weight of 580.57 g/mol. Its IUPAC name is N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: YFRJQQJICVKCIY-UHFFFAOYSA-N
• PubChem CID: 152511869
• Molecular Formula: C₂₄H₁₉F₃N₄O₆S₂
• Molecular Weight: 580.57 g/mol
• Exact Mass: 580.07
• IUPAC Name: N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzenesulfonamide
• SMILES: CC1CC12C(=O)N(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N2c1ccnc(NS(=O)(=O)c2ccccc2)c1
• InChI: InChI=1S/C24H19F3N4O6S2/c1-15-14-23(15)21(32)30(16-7-9-18(10-8-16)38(34,35)24(25,26)27)22(33)31(23)17-11-12-28-20(13-17)29-39(36,37)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,28,29)
• InChIKey: YFRJQQJICVKCIY-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 133.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.57
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of YFRJQQJICVKCIY-UHFFFAOYSA-N (CID 152511869) is N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzenesulfonamide.

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

The canonical SMILES for YFRJQQJICVKCIY-UHFFFAOYSA-N is CC1CC12C(=O)N(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N2c1ccnc(NS(=O)(=O)c2ccccc2)c1.

What is the InChIKey of YFRJQQJICVKCIY-UHFFFAOYSA-N?

The InChIKey is YFRJQQJICVKCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O6S2/c1-15-14-23(15)21(32)30(16-7-9-18(10-8-16)38(34,35)24(25,26)27)22(33)31(23)17-11-12-28-20(13-17)29-39(36,37)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,28,29).

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

YFRJQQJICVKCIY-UHFFFAOYSA-N has a molecular weight of 580.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for YFRJQQJICVKCIY-UHFFFAOYSA-N is sourced from PubChem (CID 152511869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152511869 — identifiers, structure, computed properties (public domain)

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