1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide

C49H50Cl2F8N10O8S3 — CID 158237266

About 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide

1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide (PubChem CID 158237266) has the molecular formula C49H50Cl2F8N10O8S3 and a molecular weight of 1226.09 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide
• PubChem CID: 158237266
• Molecular Formula: C49H50Cl2F8N10O8S3
• Molecular Weight: 1226.09 g/mol
• Exact Mass: 1224.22
• IUPAC Name: 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide
• SMILES: CS(=O)(=O)N1CC(N2CCC(S(=O)(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)c3ccc(F)c(Cl)c3)CC2)C1.O=S(=O)(C1CCN(C2CNC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C25H26ClF4N5O5S2.C24H24ClF4N5O3S/c1-41(36,37)34-13-18(14-34)33-8-6-19(7-9-33)42(38,39)35(17-4-5-21(27)20(26)11-17)12-16-3-2-15(10-22(16)28)24-31-32-25(40-24)23(29)30;25-19-10-16(3-4-20(19)26)34(38(35,36)18-5-7-33(8-6-18)17-11-30-12-17)13-15-2-1-14(9-21(15)27)23-31-32-24(37-23)22(28)29/h2-5,10-11,18-19,23H,6-9,12-14H2,1H3;1-4,9-10,17-18,22,30H,5-8,11-13H2
• InChIKey: GFCRFNPTWCWRNW-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 208.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.09
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide?

The IUPAC name of 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide (CID 158237266) is 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide.

What is the SMILES notation for 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide?

The canonical SMILES for 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide is CS(=O)(=O)N1CC(N2CCC(S(=O)(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)c3ccc(F)c(Cl)c3)CC2)C1.O=S(=O)(C1CCN(C2CNC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1.

What is the InChIKey of 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide?

The InChIKey is GFCRFNPTWCWRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF4N5O5S2.C24H24ClF4N5O3S/c1-41(36,37)34-13-18(14-34)33-8-6-19(7-9-33)42(38,39)35(17-4-5-21(27)20(26)11-17)12-16-3-2-15(10-22(16)28)24-31-32-25(40-24)23(29)30;25-19-10-16(3-4-20(19)26)34(38(35,36)18-5-7-33(8-6-18)17-11-30-12-17)13-15-2-1-14(9-21(15)27)23-31-32-24(37-23)22(28)29/h2-5,10-11,18-19,23H,6-9,12-14H2,1H3;1-4,9-10,17-18,22,30H,5-8,11-13H2.

What are the key properties of 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide?

1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide has a molecular weight of 1226.09 g/mol, XLogP of 8.43, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 158237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).