N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride

C48H55ClF4N8O7S2 — CID 159026916

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride (PubChem CID 159026916) has the molecular formula C48H55ClF4N8O7S2 and a molecular weight of 1031.60 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride
• PubChem CID: 159026916
• Molecular Formula: C48H55ClF4N8O7S2
• Molecular Weight: 1031.60 g/mol
• Exact Mass: 1030.33
• IUPAC Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride
• SMILES: Cc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)S(=O)(=O)C2CCN(C3CC(O)C3)CC2)c1.Cc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)S(=O)(=O)C2CCNCC2)c1.Cl
• InChI: InChI=1S/C26H30F2N4O4S.C22H24F2N4O3S.ClH/c1-17-3-2-4-20(13-17)32(37(34,35)23-9-11-31(12-10-23)21-14-22(33)15-21)16-18-5-7-19(8-6-18)25-29-30-26(36-25)24(27)28;1-15-3-2-4-18(13-15)28(32(29,30)19-9-11-25-12-10-19)14-16-5-7-17(8-6-16)21-26-27-22(31-21)20(23)24;/h2-8,13,21-24,33H,9-12,14-16H2,1H3;2-8,13,19-20,25H,9-12,14H2,1H3;1H
• InChIKey: FCQNVMDMVVZXNR-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 188.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.60
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride?

The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride (CID 159026916) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride.

What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride?

The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride is Cc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)S(=O)(=O)C2CCN(C3CC(O)C3)CC2)c1.Cc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)S(=O)(=O)C2CCNCC2)c1.Cl.

What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride?

The InChIKey is FCQNVMDMVVZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O4S.C22H24F2N4O3S.ClH/c1-17-3-2-4-20(13-17)32(37(34,35)23-9-11-31(12-10-23)21-14-22(33)15-21)16-18-5-7-19(8-6-18)25-29-30-26(36-25)24(27)28;1-15-3-2-4-18(13-15)28(32(29,30)19-9-11-25-12-10-19)14-16-5-7-17(8-6-16)21-26-27-22(31-21)20(23)24;/h2-8,13,21-24,33H,9-12,14-16H2,1H3;2-8,13,19-20,25H,9-12,14H2,1H3;1H.

What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride?

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride has a molecular weight of 1031.60 g/mol, XLogP of 8.80, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)-N-(3-methylphenyl)piperidine-4-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)piperidine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 159026916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).