N-(6,15-difluoro-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)-1-fluoroethanesulfonamide

C23H25F3N2O4S — CID 170199820

About N-(6,15-difluoro-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)-1-fluoroethanesulfonamide

N-(6,15-difluoro-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)-1-fluoroethanesulfonamide (PubChem CID 170199820) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(6,15-difluoro-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)-1-fluoroethanesulfonamide.

Molecular Properties

• Compound Name: N-(6,15-difluoro-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)-1-fluoroethanesulfonamide
• PubChem CID: 170199820
• Molecular Formula: C23H25F3N2O4S
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.15
• IUPAC Name: N-(6,15-difluoro-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)-1-fluoroethanesulfonamide
• SMILES: CC(F)S(=O)(=O)NC1C(F)CCN2C(=O)CCOc3c(F)cccc3-c3cccc(c3)CC12
• InChI: InChI=1S/C23H25F3N2O4S/c1-14(24)33(30,31)27-22-18(25)8-10-28-20(22)13-15-4-2-5-16(12-15)17-6-3-7-19(26)23(17)32-11-9-21(28)29/h2-7,12,14,18,20,22,27H,8-11,13H2,1H3
• InChIKey: RLRCGXKGFOHXFH-UHFFFAOYSA-N
• XLogP: 3.36
• 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	482.52
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6,15-difluoro-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)-1-fluoroethanesulfonamide?

The IUPAC name of N-(6,15-difluoro-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)-1-fluoroethanesulfonamide (CID 170199820) is N-(6,15-difluoro-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)-1-fluoroethanesulfonamide.

What is the SMILES notation for N-(6,15-difluoro-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)-1-fluoroethanesulfonamide?

The canonical SMILES for N-(6,15-difluoro-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)-1-fluoroethanesulfonamide is CC(F)S(=O)(=O)NC1C(F)CCN2C(=O)CCOc3c(F)cccc3-c3cccc(c3)CC12.

What is the InChIKey of N-(6,15-difluoro-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)-1-fluoroethanesulfonamide?

The InChIKey is RLRCGXKGFOHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-14(24)33(30,31)27-22-18(25)8-10-28-20(22)13-15-4-2-5-16(12-15)17-6-3-7-19(26)23(17)32-11-9-21(28)29/h2-7,12,14,18,20,22,27H,8-11,13H2,1H3.

What are the key properties of N-(6,15-difluoro-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)-1-fluoroethanesulfonamide?

N-(6,15-difluoro-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)-1-fluoroethanesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,15-difluoro-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)-1-fluoroethanesulfonamide is sourced from PubChem (CID 170199820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).