4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide

C26H30FN3O5S — CID 135124333

About 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide

4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide (PubChem CID 135124333) has the molecular formula C26H30FN3O5S and a molecular weight of 515.61 g/mol. Its IUPAC name is 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide
• PubChem CID: 135124333
• Molecular Formula: C26H30FN3O5S
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.19
• IUPAC Name: 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide
• SMILES: COc1cc(NS(=O)(=O)c2ccc(F)cc2OC2CC3(C2)CN(C)C3)cc2c1NC(=O)C21CCCC1
• InChI: InChI=1S/C26H30FN3O5S/c1-30-14-25(15-30)12-18(13-25)35-20-9-16(27)5-6-22(20)36(32,33)29-17-10-19-23(21(11-17)34-2)28-24(31)26(19)7-3-4-8-26/h5-6,9-11,18,29H,3-4,7-8,12-15H2,1-2H3,(H,28,31)
• InChIKey: ABQXKTJSJUKVSO-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide?

The IUPAC name of 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide (CID 135124333) is 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide.

What is the SMILES notation for 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide?

The canonical SMILES for 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)cc2OC2CC3(C2)CN(C)C3)cc2c1NC(=O)C21CCCC1.

What is the InChIKey of 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide?

The InChIKey is ABQXKTJSJUKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5S/c1-30-14-25(15-30)12-18(13-25)35-20-9-16(27)5-6-22(20)36(32,33)29-17-10-19-23(21(11-17)34-2)28-24(31)26(19)7-3-4-8-26/h5-6,9-11,18,29H,3-4,7-8,12-15H2,1-2H3,(H,28,31).

What are the key properties of 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide?

4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide has a molecular weight of 515.61 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 135124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).