[2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

C82H85F15N12O14S4 — CID 157073035

About [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

[2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (PubChem CID 157073035) has the molecular formula C82H85F15N12O14S4 and a molecular weight of 1875.89 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

Molecular Properties

• Compound Name: [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
• PubChem CID: 157073035
• Molecular Formula: C82H85F15N12O14S4
• Molecular Weight: 1875.89 g/mol
• Exact Mass: 1874.50
• IUPAC Name: [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
• SMILES: O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1ccc(F)c(F)c1
• InChI: InChI=1S/C21H22F3N3O3S.C21H23F2N3O3S.2C20H20F5N3O4S/c22-16-2-4-20(25-12-16)26-7-8-27(21(28)14-5-9-31(29,30)10-6-14)19(13-26)15-1-3-17(23)18(24)11-15;22-17-5-4-16(13-18(17)23)19-14-25(20-3-1-2-8-24-20)9-10-26(19)21(27)15-6-11-30(28,29)12-7-15;21-13-1-2-14(15(22)9-13)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12;21-14-2-1-13(9-15(14)22)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12/h1-4,11-12,14,19H,5-10,13H2;1-5,8,13,15,19H,6-7,9-12,14H2;2*1-2,9-10,12,16H,3-8,11H2
• InChIKey: ACQOONQEATWGIW-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 308.60 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.89
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (CID 157073035) is [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

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

The canonical SMILES for [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1ccc(F)c(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1ccc(F)c(F)c1.

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

The InChIKey is ACQOONQEATWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3S.C21H23F2N3O3S.2C20H20F5N3O4S/c22-16-2-4-20(25-12-16)26-7-8-27(21(28)14-5-9-31(29,30)10-6-14)19(13-26)15-1-3-17(23)18(24)11-15;22-17-5-4-16(13-18(17)23)19-14-25(20-3-1-2-8-24-20)9-10-26(19)21(27)15-6-11-30(28,29)12-7-15;21-13-1-2-14(15(22)9-13)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12;21-14-2-1-13(9-15(14)22)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12/h1-4,11-12,14,19H,5-10,13H2;1-5,8,13,15,19H,6-7,9-12,14H2;2*1-2,9-10,12,16H,3-8,11H2.

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

[2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone has a molecular weight of 1875.89 g/mol, XLogP of 11.66, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is sourced from PubChem (CID 157073035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).