[2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

C83H86F15N15O12S4 — CID 158151930

About [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

[2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (PubChem CID 158151930) has the molecular formula C83H86F15N15O12S4 and a molecular weight of 1898.93 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

Molecular Properties

• Compound Name: [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
• PubChem CID: 158151930
• Molecular Formula: C83H86F15N15O12S4
• Molecular Weight: 1898.93 g/mol
• Exact Mass: 1897.52
• IUPAC Name: [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
• SMILES: O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(F)cn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncccn2)CC1c1ccc(F)c(F)c1
• InChI: InChI=1S/C22H22F5N3O3S.C21H21F5N4O3S.C20H21F3N4O3S.C20H22F2N4O3S/c23-17-3-1-15(11-18(17)24)19-13-29(20-4-2-16(12-28-20)22(25,26)27)7-8-30(19)21(31)14-5-9-34(32,33)10-6-14;22-15-2-1-14(9-16(15)23)17-12-29(19-11-27-18(10-28-19)21(24,25)26)5-6-30(17)20(31)13-3-7-34(32,33)8-4-13;21-14-1-2-16(17(23)9-14)18-12-26(20-24-10-15(22)11-25-20)5-6-27(18)19(28)13-3-7-31(29,30)8-4-13;21-16-3-2-15(12-17(16)22)18-13-25(20-23-6-1-7-24-20)8-9-26(18)19(27)14-4-10-30(28,29)11-5-14/h1-4,11-12,14,19H,5-10,13H2;1-2,9-11,13,17H,3-8,12H2;1-2,9-11,13,18H,3-8,12H2;1-3,6-7,12,14,18H,4-5,8-11,13H2
• InChIKey: FVFGTBMRYYNRCH-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 320.99 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.93
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?

The IUPAC name of [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (CID 158151930) is [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

What is the SMILES notation for [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?

The canonical SMILES for [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(F)cn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncccn2)CC1c1ccc(F)c(F)c1.

What is the InChIKey of [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?

The InChIKey is FVFGTBMRYYNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F5N3O3S.C21H21F5N4O3S.C20H21F3N4O3S.C20H22F2N4O3S/c23-17-3-1-15(11-18(17)24)19-13-29(20-4-2-16(12-28-20)22(25,26)27)7-8-30(19)21(31)14-5-9-34(32,33)10-6-14;22-15-2-1-14(9-16(15)23)17-12-29(19-11-27-18(10-28-19)21(24,25)26)5-6-30(17)20(31)13-3-7-34(32,33)8-4-13;21-14-1-2-16(17(23)9-14)18-12-26(20-24-10-15(22)11-25-20)5-6-27(18)19(28)13-3-7-31(29,30)8-4-13;21-16-3-2-15(12-17(16)22)18-13-25(20-23-6-1-7-24-20)8-9-26(18)19(27)14-4-10-30(28,29)11-5-14/h1-4,11-12,14,19H,5-10,13H2;1-2,9-11,13,17H,3-8,12H2;1-2,9-11,13,18H,3-8,12H2;1-3,6-7,12,14,18H,4-5,8-11,13H2.

What are the key properties of [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?

[2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone has a molecular weight of 1898.93 g/mol, XLogP of 10.66, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,4-difluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is sourced from PubChem (CID 158151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).