4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide

C65H72Cl2N34O10S7 — CID 158501118

About 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide

4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 158501118) has the molecular formula C65H72Cl2N34O10S7 and a molecular weight of 1784.89 g/mol. Its IUPAC name is 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
• PubChem CID: 158501118
• Molecular Formula: C65H72Cl2N34O10S7
• Molecular Weight: 1784.89 g/mol
• Exact Mass: 1782.36
• IUPAC Name: 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
• SMILES: CN1CCN(CCOc2ccc3nc(-n4nc(Nc5ccc(S(N)(=O)=O)cc5)nc4N)sc3c2)CC1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)nn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc(Cl)ns1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc2ccc(OCCN3CCNCC3)cc2s1
• InChI: InChI=1S/C22H27N9O3S2.C21H25N9O3S2.C12H11ClN8O2S.C10H9ClN8O2S2/c1-29-8-10-30(11-9-29)12-13-34-16-4-7-18-19(14-16)35-22(26-18)31-20(23)27-21(28-31)25-15-2-5-17(6-3-15)36(24,32)33;22-19-27-20(25-14-1-4-16(5-2-14)35(23,31)32)28-30(19)21-26-17-6-3-15(13-18(17)34-21)33-12-11-29-9-7-24-8-10-29;13-9-5-6-10(19-18-9)21-11(14)17-12(20-21)16-7-1-3-8(4-2-7)24(15,22)23;11-7-15-10(22-18-7)19-8(12)16-9(17-19)14-5-1-3-6(4-2-5)23(13,20)21/h2-7,14H,8-13H2,1H3,(H2,24,32,33)(H3,23,25,27,28);1-6,13,24H,7-12H2,(H2,23,31,32)(H3,22,25,27,28);1-6H,(H2,15,22,23)(H3,14,16,17,20);1-4H,(H2,13,20,21)(H3,12,14,16,17)
• InChIKey: HJXFPJSWUJUCIX-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 633.23 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.89
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide?

The IUPAC name of 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 158501118) is 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

What is the SMILES notation for 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide?

The canonical SMILES for 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide is CN1CCN(CCOc2ccc3nc(-n4nc(Nc5ccc(S(N)(=O)=O)cc5)nc4N)sc3c2)CC1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)nn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc(Cl)ns1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc2ccc(OCCN3CCNCC3)cc2s1.

What is the InChIKey of 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide?

The InChIKey is HJXFPJSWUJUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O3S2.C21H25N9O3S2.C12H11ClN8O2S.C10H9ClN8O2S2/c1-29-8-10-30(11-9-29)12-13-34-16-4-7-18-19(14-16)35-22(26-18)31-20(23)27-21(28-31)25-15-2-5-17(6-3-15)36(24,32)33;22-19-27-20(25-14-1-4-16(5-2-14)35(23,31)32)28-30(19)21-26-17-6-3-15(13-18(17)34-21)33-12-11-29-9-7-24-8-10-29;13-9-5-6-10(19-18-9)21-11(14)17-12(20-21)16-7-1-3-8(4-2-7)24(15,22)23;11-7-15-10(22-18-7)19-8(12)16-9(17-19)14-5-1-3-6(4-2-5)23(13,20)21/h2-7,14H,8-13H2,1H3,(H2,24,32,33)(H3,23,25,27,28);1-6,13,24H,7-12H2,(H2,23,31,32)(H3,22,25,27,28);1-6H,(H2,15,22,23)(H3,14,16,17,20);1-4H,(H2,13,20,21)(H3,12,14,16,17).

What are the key properties of 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide?

4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 1784.89 g/mol, XLogP of 4.04, 24 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158501118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).