4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)

C61H66N16O5S4Y4-4 — CID 159056048

About 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) (PubChem CID 159056048) has the molecular formula C61H66N16O5S4Y4-4 and a molecular weight of 1587.20 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium).

Molecular Properties

• Compound Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)
• PubChem CID: 159056048
• Molecular Formula: C61H66N16O5S4Y4-4
• Molecular Weight: 1587.20 g/mol
• Exact Mass: 1586.05
• IUPAC Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)
• SMILES: CCc1nnc(NS(=O)(=O)c2ccc(CC(=O)N3CCN(c4ncnc5[nH]cc(-c6c(C)[c-]c(C)[c-]c6C)c45)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cc1[c-]c(C)c(-c2c[nH]c3ncnc(N4CCCCC4)c23)c(C)[c-]1.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C31H32N8O3S2.C20H22N4.C10H12N4O2S2.4Y/c1-5-25-35-36-31(43-25)37-44(41,42)23-8-6-22(7-9-23)16-26(40)38-10-12-39(13-11-38)30-28-24(17-32-29(28)33-18-34-30)27-20(3)14-19(2)15-21(27)4;1-13-9-14(2)17(15(3)10-13)16-11-21-19-18(16)20(23-12-22-19)24-7-5-4-6-8-24;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;;;;/h6-9,17-18H,5,10-13,16H2,1-4H3,(H,36,37)(H,32,33,34);11-12H,4-8H2,1-3H3,(H,21,22,23);3-6H,2,11H2,1H3,(H,13,14);;;;/q2*-2
• InChIKey: UXPOOXHSFBELIQ-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 279.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.20
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) (CID 159056048) is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium).

What is the SMILES notation for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The canonical SMILES for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) is CCc1nnc(NS(=O)(=O)c2ccc(CC(=O)N3CCN(c4ncnc5[nH]cc(-c6c(C)[c-]c(C)[c-]c6C)c45)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cc1[c-]c(C)c(-c2c[nH]c3ncnc(N4CCCCC4)c23)c(C)[c-]1.[Y].[Y].[Y].[Y].

What is the InChIKey of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The InChIKey is UXPOOXHSFBELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3S2.C20H22N4.C10H12N4O2S2.4Y/c1-5-25-35-36-31(43-25)37-44(41,42)23-8-6-22(7-9-23)16-26(40)38-10-12-39(13-11-38)30-28-24(17-32-29(28)33-18-34-30)27-20(3)14-19(2)15-21(27)4;1-13-9-14(2)17(15(3)10-13)16-11-21-19-18(16)20(23-12-22-19)24-7-5-4-6-8-24;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;;;;/h6-9,17-18H,5,10-13,16H2,1-4H3,(H,36,37)(H,32,33,34);11-12H,4-8H2,1-3H3,(H,21,22,23);3-6H,2,11H2,1H3,(H,13,14);;;;/q2*-2;;;;;.

What are the key properties of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) has a molecular weight of 1587.20 g/mol, XLogP of 9.87, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-oxo-2-[4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]benzenesulfonamide;4-piperidin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) is sourced from PubChem (CID 159056048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).