N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide

C23H24ClF3N6O3S — CID 126507833

About N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide

N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide (PubChem CID 126507833) has the molecular formula C23H24ClF3N6O3S and a molecular weight of 557.00 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide
• PubChem CID: 126507833
• Molecular Formula: C23H24ClF3N6O3S
• Molecular Weight: 557.00 g/mol
• Exact Mass: 556.13
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide
• SMILES: O=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C23H24ClF3N6O3S/c24-19-12-18(6-7-20(19)25)33(37(34,35)32-10-8-31(9-11-32)17-2-1-3-17)14-16-5-4-15(13-28-16)22-29-30-23(36-22)21(26)27/h4-7,12-13,17,21H,1-3,8-11,14H2
• InChIKey: XFTADSRVRXQLIN-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 95.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.00
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide (CID 126507833) is N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide is O=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)c(Cl)c1.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide?

The InChIKey is XFTADSRVRXQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O3S/c24-19-12-18(6-7-20(19)25)33(37(34,35)32-10-8-31(9-11-32)17-2-1-3-17)14-16-5-4-15(13-28-16)22-29-30-23(36-22)21(26)27/h4-7,12-13,17,21H,1-3,8-11,14H2.

What are the key properties of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide?

N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide has a molecular weight of 557.00 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 126507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).