2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide

C26H32FN3O4S — CID 176836377

About 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide

2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide (PubChem CID 176836377) has the molecular formula C26H32FN3O4S and a molecular weight of 501.62 g/mol. Its IUPAC name is 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide
• PubChem CID: 176836377
• Molecular Formula: C26H32FN3O4S
• Molecular Weight: 501.62 g/mol
• Exact Mass: 501.21
• IUPAC Name: 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide
• SMILES: CN1CCOc2ccccc2-c2cccc(c2)C[C@H]2[C@@H](NS(=O)(=O)C(C)(C)F)C3(CC3)CN2C1=O
• InChI: InChI=1S/C26H32FN3O4S/c1-25(2,27)35(32,33)28-23-21-16-18-7-6-8-19(15-18)20-9-4-5-10-22(20)34-14-13-29(3)24(31)30(21)17-26(23)11-12-26/h4-10,15,21,23,28H,11-14,16-17H2,1-3H3/t21-,23+/m0/s1
• InChIKey: ZTVZDTLLUCFLNU-JTHBVZDNSA-N
• XLogP: 3.80
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.62
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide?

The IUPAC name of 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide (CID 176836377) is 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide.

What is the SMILES notation for 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide?

The canonical SMILES for 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide is CN1CCOc2ccccc2-c2cccc(c2)C[C@H]2[C@@H](NS(=O)(=O)C(C)(C)F)C3(CC3)CN2C1=O.

What is the InChIKey of 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide?

The InChIKey is ZTVZDTLLUCFLNU-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H32FN3O4S/c1-25(2,27)35(32,33)28-23-21-16-18-7-6-8-19(15-18)20-9-4-5-10-22(20)34-14-13-29(3)24(31)30(21)17-26(23)11-12-26/h4-10,15,21,23,28H,11-14,16-17H2,1-3H3/t21-,23+/m0/s1.

What are the key properties of 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide?

2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide has a molecular weight of 501.62 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide is sourced from PubChem (CID 176836377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).