5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole

C70H75F5N12O9S6 — CID 118386152

About 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole

5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole (PubChem CID 118386152) has the molecular formula C70H75F5N12O9S6 and a molecular weight of 1515.84 g/mol. Its IUPAC name is 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole
• PubChem CID: 118386152
• Molecular Formula: C70H75F5N12O9S6
• Molecular Weight: 1515.84 g/mol
• Exact Mass: 1514.40
• IUPAC Name: 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole
• SMILES: COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)CN(c1nc(Cc3ccc(F)cc3)ns1)C2.COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2nc(Cc4ccc(F)cc4)ns2)C3)cc1OC.O=S(=O)(c1ccc(F)cc1F)N1CCC2(CC1)CN(c1nc(Cc3ccc(F)cc3)ns1)C2
• InChI: InChI=1S/C24H27FN4O4S2.C24H27FN4O3S2.C22H21F3N4O2S2/c1-32-20-8-7-19(14-21(20)33-2)35(30,31)29-11-9-24(10-12-29)15-28(16-24)23-26-22(27-34-23)13-17-3-5-18(25)6-4-17;1-17-3-8-20(32-2)21(13-17)34(30,31)29-11-9-24(10-12-29)15-28(16-24)23-26-22(27-33-23)14-18-4-6-19(25)7-5-18;23-16-3-1-15(2-4-16)11-20-26-21(32-27-20)28-13-22(14-28)7-9-29(10-8-22)33(30,31)19-6-5-17(24)12-18(19)25/h3-8,14H,9-13,15-16H2,1-2H3;3-8,13H,9-12,14-16H2,1-2H3;1-6,12H,7-11,13-14H2
• InChIKey: WDBMWDAIEBHYTG-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 226.89 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.84
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole?

The IUPAC name of 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole (CID 118386152) is 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole.

What is the SMILES notation for 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole?

The canonical SMILES for 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole is COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)CN(c1nc(Cc3ccc(F)cc3)ns1)C2.COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2nc(Cc4ccc(F)cc4)ns2)C3)cc1OC.O=S(=O)(c1ccc(F)cc1F)N1CCC2(CC1)CN(c1nc(Cc3ccc(F)cc3)ns1)C2.

What is the InChIKey of 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole?

The InChIKey is WDBMWDAIEBHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S2.C24H27FN4O3S2.C22H21F3N4O2S2/c1-32-20-8-7-19(14-21(20)33-2)35(30,31)29-11-9-24(10-12-29)15-28(16-24)23-26-22(27-34-23)13-17-3-5-18(25)6-4-17;1-17-3-8-20(32-2)21(13-17)34(30,31)29-11-9-24(10-12-29)15-28(16-24)23-26-22(27-33-23)14-18-4-6-19(25)7-5-18;23-16-3-1-15(2-4-16)11-20-26-21(32-27-20)28-13-22(14-28)7-9-29(10-8-22)33(30,31)19-6-5-17(24)12-18(19)25/h3-8,14H,9-13,15-16H2,1-2H3;3-8,13H,9-12,14-16H2,1-2H3;1-6,12H,7-11,13-14H2.

What are the key properties of 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole?

5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole has a molecular weight of 1515.84 g/mol, XLogP of 11.29, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;5-[7-(3,4-dimethoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole;3-[(4-fluorophenyl)methyl]-5-[7-(2-methoxy-5-methylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 118386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).