tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium

C116H160N28O32S4+4 — CID 158468389

About tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium

tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium (PubChem CID 158468389) has the molecular formula C116H160N28O32S4+4 and a molecular weight of 2586.99 g/mol. Its IUPAC name is tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium.

Molecular Properties

• Compound Name: tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
• PubChem CID: 158468389
• Molecular Formula: C116H160N28O32S4+4
• Molecular Weight: 2586.99 g/mol
• Exact Mass: 2585.06
• IUPAC Name: tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
• SMILES: Cc1c[nH+]c(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1c[nH+]c(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1cnc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1cnc([NH2+]c2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O
• InChI: InChI=1S/4C25H33N7O2S.4C4H6O6/c4*1-19-17-26-25(27-21-11-9-20(10-12-21)18-32-15-13-31(4)14-16-32)29-24(19)28-22-7-5-6-8-23(22)35(33,34)30(2)3;4*5-1(3(7)8)2(6)4(9)10/h4*5-12,17H,13-16,18H2,1-4H3,(H2,26,27,28,29);4*1-2,5-6H,(H,7,8)(H,9,10)/p+4/t;;;;4*1-,2-/m....1111/s1
• InChIKey: QIODGKDWVPRSCZ-LDOHNVKSSA-R
• XLogP: 0.79
• TPSA: 843.32 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.99
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium?

The IUPAC name of tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium (CID 158468389) is tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium.

What is the SMILES notation for tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium?

The canonical SMILES for tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium is Cc1c[nH+]c(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1c[nH+]c(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1cnc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.Cc1cnc([NH2+]c2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.

What is the InChIKey of tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium?

The InChIKey is QIODGKDWVPRSCZ-LDOHNVKSSA-R. The full InChI is InChI=1S/4C25H33N7O2S.4C4H6O6/c4*1-19-17-26-25(27-21-11-9-20(10-12-21)18-32-15-13-31(4)14-16-32)29-24(19)28-22-7-5-6-8-23(22)35(33,34)30(2)3;4*5-1(3(7)8)2(6)4(9)10/h4*5-12,17H,13-16,18H2,1-4H3,(H2,26,27,28,29);4*1-2,5-6H,(H,7,8)(H,9,10)/p+4/t;;;;4*1-,2-/m....1111/s1.

What are the key properties of tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium?

tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium has a molecular weight of 2586.99 g/mol, XLogP of 0.79, 44 rotatable bonds, 25 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2R,3R)-2,3-dihydroxybutanedioic acid);N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-1-ium-4-yl]amino]benzenesulfonamide);[4-[2-(dimethylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium is sourced from PubChem (CID 158468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).