4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide

C106H116Cl3F3N34O10S15 — CID 160802989

About 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide

4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 160802989) has the molecular formula C106H116Cl3F3N34O10S15 and a molecular weight of 2670.68 g/mol. Its IUPAC name is 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 160802989
• Molecular Formula: C106H116Cl3F3N34O10S15
• Molecular Weight: 2670.68 g/mol
• Exact Mass: 2666.44
• IUPAC Name: 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide
• SMILES: CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4cc(Cl)ncn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ccnc(Cl)n4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ncccc4C)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ncnc5[nH]cc(Cl)c45)CC3)cc2)s1
• InChI: InChI=1S/C22H23ClN8O2S3.C22H23F3N6O2S3.C22H26N6O2S3.2C20H22ClN7O2S3/c1-2-17-27-28-22(35-17)29-36(32,33)15-5-3-14(4-6-15)11-18(34)30-7-9-31(10-8-30)21-19-16(23)12-24-20(19)25-13-26-21;1-2-19-27-28-21(35-19)29-36(32,33)17-6-3-15(4-7-17)13-20(34)31-11-9-30(10-12-31)18-8-5-16(14-26-18)22(23,24)25;1-3-19-24-25-22(32-19)26-33(29,30)18-8-6-17(7-9-18)15-20(31)27-11-13-28(14-12-27)21-16(2)5-4-10-23-21;1-2-18-24-25-20(32-18)26-33(29,30)15-5-3-14(4-6-15)11-19(31)28-9-7-27(8-10-28)17-12-16(21)22-13-23-17;1-2-17-24-25-20(32-17)26-33(29,30)15-5-3-14(4-6-15)13-18(31)28-11-9-27(10-12-28)16-7-8-22-19(21)23-16/h3-6,12-13H,2,7-11H2,1H3,(H,28,29)(H,24,25,26);3-8,14H,2,9-13H2,1H3,(H,28,29);4-10H,3,11-15H2,1-2H3,(H,25,26);3-6,12-13H,2,7-11H2,1H3,(H,25,26);3-8H,2,9-13H2,1H3,(H,25,26)
• InChIKey: SDIDBRRFIOPWQR-UHFFFAOYSA-N
• XLogP: 16.90
• TPSA: 511.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2670.68
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide?

The IUPAC name of 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide (CID 160802989) is 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4cc(Cl)ncn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ccnc(Cl)n4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ncccc4C)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=S)N3CCN(c4ncnc5[nH]cc(Cl)c45)CC3)cc2)s1.

What is the InChIKey of 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide?

The InChIKey is SDIDBRRFIOPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O2S3.C22H23F3N6O2S3.C22H26N6O2S3.2C20H22ClN7O2S3/c1-2-17-27-28-22(35-17)29-36(32,33)15-5-3-14(4-6-15)11-18(34)30-7-9-31(10-8-30)21-19-16(23)12-24-20(19)25-13-26-21;1-2-19-27-28-21(35-19)29-36(32,33)17-6-3-15(4-7-17)13-20(34)31-11-9-30(10-12-31)18-8-5-16(14-26-18)22(23,24)25;1-3-19-24-25-22(32-19)26-33(29,30)18-8-6-17(7-9-18)15-20(31)27-11-13-28(14-12-27)21-16(2)5-4-10-23-21;1-2-18-24-25-20(32-18)26-33(29,30)15-5-3-14(4-6-15)11-19(31)28-9-7-27(8-10-28)17-12-16(21)22-13-23-17;1-2-17-24-25-20(32-17)26-33(29,30)15-5-3-14(4-6-15)13-18(31)28-11-9-27(10-12-28)16-7-8-22-19(21)23-16/h3-6,12-13H,2,7-11H2,1H3,(H,28,29)(H,24,25,26);3-8,14H,2,9-13H2,1H3,(H,28,29);4-10H,3,11-15H2,1-2H3,(H,25,26);3-6,12-13H,2,7-11H2,1H3,(H,25,26);3-8H,2,9-13H2,1H3,(H,25,26).

What are the key properties of 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide?

4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 2670.68 g/mol, XLogP of 16.90, 35 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[2-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-sulfanylidene-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 160802989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).