2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine

C91H114Cl7N25O12S4 — CID 159070540

About 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine

2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine (PubChem CID 159070540) has the molecular formula C91H114Cl7N25O12S4 and a molecular weight of 2126.51 g/mol. Its IUPAC name is 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine
• PubChem CID: 159070540
• Molecular Formula: C91H114Cl7N25O12S4
• Molecular Weight: 2126.51 g/mol
• Exact Mass: 2121.58
• IUPAC Name: 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)CC1.CN(C)S(=O)(=O)c1ccccc1N.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1Cl.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCNCC3)cc2)ncc1Cl.Clc1ncc(Cl)c(Cl)n1
• InChI: InChI=1S/C28H36ClN7O4S.C23H28ClN7O2S.C16H25N3O2.C12H12Cl2N4O2S.C8H12N2O2S.C4HCl3N2/c1-28(2,3)40-27(37)36-16-14-35(15-17-36)19-20-10-12-21(13-11-20)31-26-30-18-22(29)25(33-26)32-23-8-6-7-9-24(23)41(38,39)34(4)5;1-30(2)34(32,33)21-6-4-3-5-20(21)28-22-19(24)15-26-23(29-22)27-18-9-7-17(8-10-18)16-31-13-11-25-12-14-31;1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13;1-18(2)21(19,20)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11;1-10(2)13(11,12)8-6-4-3-5-7(8)9;5-2-1-8-4(7)9-3(2)6/h6-13,18H,14-17,19H2,1-5H3,(H2,30,31,32,33);3-10,15,25H,11-14,16H2,1-2H3,(H2,26,27,28,29);4-7H,8-12,17H2,1-3H3;3-7H,1-2H3,(H,15,16,17);3-6H,9H2,1-2H3;1H
• InChIKey: JZPBMMPJUKFOAR-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 445.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.51
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

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 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine?

The IUPAC name of 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine (CID 159070540) is 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine.

What is the SMILES notation for 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine?

The canonical SMILES for 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine is CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)CC1.CN(C)S(=O)(=O)c1ccccc1N.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1Cl.CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCNCC3)cc2)ncc1Cl.Clc1ncc(Cl)c(Cl)n1.

What is the InChIKey of 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine?

The InChIKey is JZPBMMPJUKFOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN7O4S.C23H28ClN7O2S.C16H25N3O2.C12H12Cl2N4O2S.C8H12N2O2S.C4HCl3N2/c1-28(2,3)40-27(37)36-16-14-35(15-17-36)19-20-10-12-21(13-11-20)31-26-30-18-22(29)25(33-26)32-23-8-6-7-9-24(23)41(38,39)34(4)5;1-30(2)34(32,33)21-6-4-3-5-20(21)28-22-19(24)15-26-23(29-22)27-18-9-7-17(8-10-18)16-31-13-11-25-12-14-31;1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13;1-18(2)21(19,20)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11;1-10(2)13(11,12)8-6-4-3-5-7(8)9;5-2-1-8-4(7)9-3(2)6/h6-13,18H,14-17,19H2,1-5H3,(H2,30,31,32,33);3-10,15,25H,11-14,16H2,1-2H3,(H2,26,27,28,29);4-7H,8-12,17H2,1-3H3;3-7H,1-2H3,(H,15,16,17);3-6H,9H2,1-2H3;1H.

What are the key properties of 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine?

2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine has a molecular weight of 2126.51 g/mol, XLogP of 16.25, 24 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N,N-dimethylbenzenesulfonamide;tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;2-[[5-chloro-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;2,4,5-trichloropyrimidine is sourced from PubChem (CID 159070540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).