N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride

C44H47ClF6N10O7S2 — CID 158241311

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride (PubChem CID 158241311) has the molecular formula C44H47ClF6N10O7S2 and a molecular weight of 1041.50 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride
• PubChem CID: 158241311
• Molecular Formula: C44H47ClF6N10O7S2
• Molecular Weight: 1041.50 g/mol
• Exact Mass: 1040.27
• IUPAC Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride
• SMILES: CC(C)C(=O)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccccc2)CC1.Cl.O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccccc1
• InChI: InChI=1S/C24H26F3N5O4S.C20H20F3N5O3S.ClH/c1-16(2)24(33)30-10-12-31(13-11-30)37(34,35)32(19-6-4-3-5-7-19)15-18-9-8-17(14-20(18)25)22-28-29-23(36-22)21(26)27;21-17-12-14(19-25-26-20(31-19)18(22)23)6-7-15(17)13-28(16-4-2-1-3-5-16)32(29,30)27-10-8-24-9-11-27;/h3-9,14,16,21H,10-13,15H2,1-2H3;1-7,12,18,24H,8-11,13H2;1H
• InChIKey: QAVFYTAYCPDHPB-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 191.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1041.50
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride?

The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride (CID 158241311) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride.

What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride?

The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride is CC(C)C(=O)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccccc2)CC1.Cl.O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccccc1.

What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride?

The InChIKey is QAVFYTAYCPDHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4S.C20H20F3N5O3S.ClH/c1-16(2)24(33)30-10-12-31(13-11-30)37(34,35)32(19-6-4-3-5-7-19)15-18-9-8-17(14-20(18)25)22-28-29-23(36-22)21(26)27;21-17-12-14(19-25-26-20(31-19)18(22)23)6-7-15(17)13-28(16-4-2-1-3-5-16)32(29,30)27-10-8-24-9-11-27;/h3-9,14,16,21H,10-13,15H2,1-2H3;1-7,12,18,24H,8-11,13H2;1H.

What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride?

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride has a molecular weight of 1041.50 g/mol, XLogP of 7.26, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 158241311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).