1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide

C22H22F4N2O4S — CID 169173948

About 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide

1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide (PubChem CID 169173948) has the molecular formula C22H22F4N2O4S and a molecular weight of 486.49 g/mol. Its IUPAC name is 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide.

Molecular Properties

• Compound Name: 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide
• PubChem CID: 169173948
• Molecular Formula: C22H22F4N2O4S
• Molecular Weight: 486.49 g/mol
• Exact Mass: 486.12
• IUPAC Name: 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide
• SMILES: O=C1CCOc2c(F)cccc2-c2cccc(c2)CC2C(NS(=O)(=O)CF)C(F)(F)CCN12
• InChI: InChI=1S/C22H22F4N2O4S/c23-13-33(30,31)27-21-18-12-14-3-1-4-15(11-14)16-5-2-6-17(24)20(16)32-10-7-19(29)28(18)9-8-22(21,25)26/h1-6,11,18,21,27H,7-10,12-13H2
• InChIKey: WXFFLPUEFDTGEE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide?

The IUPAC name of 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide (CID 169173948) is 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide.

What is the SMILES notation for 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide?

The canonical SMILES for 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide is O=C1CCOc2c(F)cccc2-c2cccc(c2)CC2C(NS(=O)(=O)CF)C(F)(F)CCN12.

What is the InChIKey of 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide?

The InChIKey is WXFFLPUEFDTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O4S/c23-13-33(30,31)27-21-18-12-14-3-1-4-15(11-14)16-5-2-6-17(24)20(16)32-10-7-19(29)28(18)9-8-22(21,25)26/h1-6,11,18,21,27H,7-10,12-13H2.

What are the key properties of 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide?

1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide has a molecular weight of 486.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-N-(6,15,15-trifluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)methanesulfonamide is sourced from PubChem (CID 169173948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).