4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H24F2N2O4S — CID 69084567

About 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 69084567) has the molecular formula C23H24F2N2O4S and a molecular weight of 462.52 g/mol. Its IUPAC name is 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 69084567
• Molecular Formula: C23H24F2N2O4S
• Molecular Weight: 462.52 g/mol
• Exact Mass: 462.14
• IUPAC Name: 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CN1C1CC1
• InChI: InChI=1S/C23H24F2N2O4S/c24-18-4-1-16(2-5-18)17-3-8-21(20(25)13-17)32(29,30)26-11-9-23(10-12-26)15-27(19-6-7-19)22(28)14-31-23/h1-5,8,13,19H,6-7,9-12,14-15H2
• InChIKey: UFUHENRYLGDXQT-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 69084567) is 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CN1C1CC1.

What is the InChIKey of 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is UFUHENRYLGDXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4S/c24-18-4-1-16(2-5-18)17-3-8-21(20(25)13-17)32(29,30)26-11-9-23(10-12-26)15-27(19-6-7-19)22(28)14-31-23/h1-5,8,13,19H,6-7,9-12,14-15H2.

What are the key properties of 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 462.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-9-[2-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 69084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).