1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide

C23H24F5N3O4S — CID 176836396

About 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide

1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide (PubChem CID 176836396) has the molecular formula C23H24F5N3O4S and a molecular weight of 533.52 g/mol. Its IUPAC name is 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide.

Molecular Properties

• Compound Name: 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide
• PubChem CID: 176836396
• Molecular Formula: C23H24F5N3O4S
• Molecular Weight: 533.52 g/mol
• Exact Mass: 533.14
• IUPAC Name: 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide
• SMILES: CN1CCOc2c(F)cccc2-c2cccc(c2F)CC2C(NS(=O)(=O)C(C)(F)F)C(F)CN2C1=O
• InChI: InChI=1S/C23H24F5N3O4S/c1-23(27,28)36(33,34)29-20-17(25)12-31-18(20)11-13-5-3-6-14(19(13)26)15-7-4-8-16(24)21(15)35-10-9-30(2)22(31)32/h3-8,17-18,20,29H,9-12H2,1-2H3
• InChIKey: WCRSUBJUBLWUPQ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide?

The IUPAC name of 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide (CID 176836396) is 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide.

What is the SMILES notation for 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide?

The canonical SMILES for 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide is CN1CCOc2c(F)cccc2-c2cccc(c2F)CC2C(NS(=O)(=O)C(C)(F)F)C(F)CN2C1=O.

What is the InChIKey of 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide?

The InChIKey is WCRSUBJUBLWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N3O4S/c1-23(27,28)36(33,34)29-20-17(25)12-31-18(20)11-13-5-3-6-14(19(13)26)15-7-4-8-16(24)21(15)35-10-9-30(2)22(31)32/h3-8,17-18,20,29H,9-12H2,1-2H3.

What are the key properties of 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide?

1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide has a molecular weight of 533.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide is sourced from PubChem (CID 176836396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).