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

C84H88F13N13O12S4 — CID 160688397

IUPAC[2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1cccc(F)c1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1cccc(F)c1F
InChIInChI=1S/C21H21F5N4O3S.2C21H22F3N3O3S.C21H23F2N3O3S/c22-15-3-1-2-14(19(15)23)16-12-29(18-11-27-17(10-28-18)21(24,25)26)6-7-30(16)20(31)13-4-8-34(32,33)9-5-13;22-15-1-3-17(18(24)11-15)19-13-26(20-4-2-16(23)12-25-20)7-8-27(19)21(28)14-5-9-31(29,30)10-6-14;22-15-4-5-19(25-12-15)26-8-9-27(21(28)14-6-10-31(29,30)11-7-14)18(13-26)16-2-1-3-17(23)20(16)24;22-16-4-5-17(18(23)13-16)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/h1-3,10-11,13,16H,4-9,12H2;1-4,11-12,14,19H,5-10,13H2;1-5,12,14,18H,6-11,13H2;1-5,8,13,15,19H,6-7,9-12,14H2
InChIKeyRPBRUGQDHUAKBI-UHFFFAOYSA-N
MW1846.95 g/mol
LogP10.99
Rot. Bonds12

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

[2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (PubChem CID 160688397) has the molecular formula C84H88F13N13O12S4 and a molecular weight of 1846.95 g/mol. Its IUPAC name is [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
PubChem CID160688397
Molecular FormulaC84H88F13N13O12S4
Molecular Weight1846.95 g/mol
Exact Mass1845.54
IUPAC Name[2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1cccc(F)c1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1cccc(F)c1F
InChIInChI=1S/C21H21F5N4O3S.2C21H22F3N3O3S.C21H23F2N3O3S/c22-15-3-1-2-14(19(15)23)16-12-29(18-11-27-17(10-28-18)21(24,25)26)6-7-30(16)20(31)13-4-8-34(32,33)9-5-13;22-15-1-3-17(18(24)11-15)19-13-26(20-4-2-16(23)12-25-20)7-8-27(19)21(28)14-5-9-31(29,30)10-6-14;22-15-4-5-19(25-12-15)26-8-9-27(21(28)14-6-10-31(29,30)11-7-14)18(13-26)16-2-1-3-17(23)20(16)24;22-16-4-5-17(18(23)13-16)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/h1-3,10-11,13,16H,4-9,12H2;1-4,11-12,14,19H,5-10,13H2;1-5,12,14,18H,6-11,13H2;1-5,8,13,15,19H,6-7,9-12,14H2
InChIKeyRPBRUGQDHUAKBI-UHFFFAOYSA-N
XLogP10.99
TPSA295.21 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.95
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Related Compounds

[2-(2,3-Difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013250
[2-(2,4-Difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013254
[2-(2,3-Difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013260
[2-(3,4-Difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013265
(1,1-dioxothian-4-yl)-[(2R)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 118013267
(1,1-dioxothian-4-yl)-[(2S)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 118013273
[2-(2,4-Difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013279
[2-(3,4-Difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013280
(1,1-dioxothian-4-yl)-[(2S)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 118013287
(1,1-dioxothian-4-yl)-[(2R)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 118013297
(1,1-Dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 118013312
(1,1-Dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 118013335

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The IUPAC name of [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone (CID 160688397) is [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone.
What is the SMILES notation for [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The canonical SMILES for [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cn2)CC1c1cccc(F)c1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1ccc(F)cc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1cccc(F)c1F.
What is the InChIKey of [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
The InChIKey is RPBRUGQDHUAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F5N4O3S.2C21H22F3N3O3S.C21H23F2N3O3S/c22-15-3-1-2-14(19(15)23)16-12-29(18-11-27-17(10-28-18)21(24,25)26)6-7-30(16)20(31)13-4-8-34(32,33)9-5-13;22-15-1-3-17(18(24)11-15)19-13-26(20-4-2-16(23)12-25-20)7-8-27(19)21(28)14-5-9-31(29,30)10-6-14;22-15-4-5-19(25-12-15)26-8-9-27(21(28)14-6-10-31(29,30)11-7-14)18(13-26)16-2-1-3-17(23)20(16)24;22-16-4-5-17(18(23)13-16)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/h1-3,10-11,13,16H,4-9,12H2;1-4,11-12,14,19H,5-10,13H2;1-5,12,14,18H,6-11,13H2;1-5,8,13,15,19H,6-7,9-12,14H2.
What are the key properties of [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone?
[2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone has a molecular weight of 1846.95 g/mol, XLogP of 10.99, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,4-difluorophenyl)-4-pyridin-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[2-(2,3-difluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone is sourced from PubChem (CID 160688397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).