N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide

C47H53Cl2F4N9O6S2 — CID 158398320

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide (PubChem CID 158398320) has the molecular formula C47H53Cl2F4N9O6S2 and a molecular weight of 1051.03 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide
• PubChem CID: 158398320
• Molecular Formula: C47H53Cl2F4N9O6S2
• Molecular Weight: 1051.03 g/mol
• Exact Mass: 1049.29
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide
• SMILES: NCC(=O)c1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)C2CCN(C3CC(F)C3)CC2)nc1.O=S(=O)(C1CCN(C2CC(F)C2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(Cl)c1
• InChI: InChI=1S/C24H25ClF3N5O3S.C23H28ClFN4O3S/c25-16-2-1-3-19(10-16)33(37(34,35)21-6-8-32(9-7-21)20-11-17(26)12-20)14-18-5-4-15(13-29-18)23-30-31-24(36-23)22(27)28;24-17-2-1-3-20(10-17)29(15-19-5-4-16(14-27-19)23(30)13-26)33(31,32)22-6-8-28(9-7-22)21-11-18(25)12-21/h1-5,10,13,17,20-22H,6-9,11-12,14H2;1-5,10,14,18,21-22H,6-9,11-13,15,26H2
• InChIKey: GXUGJVCCDYNGAS-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 189.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.03
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide?

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide (CID 158398320) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide.

What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide?

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide is NCC(=O)c1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)C2CCN(C3CC(F)C3)CC2)nc1.O=S(=O)(C1CCN(C2CC(F)C2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(Cl)c1.

What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide?

The InChIKey is GXUGJVCCDYNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3S.C23H28ClFN4O3S/c25-16-2-1-3-19(10-16)33(37(34,35)21-6-8-32(9-7-21)20-11-17(26)12-20)14-18-5-4-15(13-29-18)23-30-31-24(36-23)22(27)28;24-17-2-1-3-20(10-17)29(15-19-5-4-16(14-27-19)23(30)13-26)33(31,32)22-6-8-28(9-7-22)21-11-18(25)12-21/h1-5,10,13,17,20-22H,6-9,11-12,14H2;1-5,10,14,18,21-22H,6-9,11-13,15,26H2.

What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide?

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide has a molecular weight of 1051.03 g/mol, XLogP of 8.20, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide is sourced from PubChem (CID 158398320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).