(E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate

C70H81ClF3N27O11S4 — CID 159002896

About (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate

(E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate (PubChem CID 159002896) has the molecular formula C70H81ClF3N27O11S4 and a molecular weight of 1697.31 g/mol. Its IUPAC name is (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate.

Molecular Properties

• Compound Name: (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate
• PubChem CID: 159002896
• Molecular Formula: C70H81ClF3N27O11S4
• Molecular Weight: 1697.31 g/mol
• Exact Mass: 1695.51
• IUPAC Name: (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate
• SMILES: CC(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)N1CCCc2cc(Cl)ccc21.O.[H]/N=C1/C=C(CN2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)C=C/C1=N\[H].[H]/N=N/N=N/N=N/N=N/N=N/[H].[H][H].[H][H]
• InChI: InChI=1S/C25H26ClN5O4S2.C24H24F3N5O4S.C21H23N7O2S.H2N10.H2O.2H2/c1-17(30-11-2-3-18-15-19(26)4-9-22(18)30)24(33)29-12-13-31(23(32)16-29)20-5-7-21(8-6-20)37(34,35)28-25-27-10-14-36-25;1-17(36-20-6-2-18(3-7-20)24(25,26)27)23(33)32-14-12-31(13-15-32)19-4-8-21(9-5-19)37(34,35)30-22-10-11-28-16-29-22;22-19-6-1-16(13-20(19)23)14-27-9-11-28(12-10-27)17-2-4-18(5-3-17)31(29,30)26-21-7-8-24-15-25-21;1-3-5-7-9-10-8-6-4-2;;;/h4-10,14-15,17H,2-3,11-13,16H2,1H3,(H,27,28);2-11,16-17H,12-15H2,1H3,(H,28,29,30);1-8,13,15,22-23H,9-12,14H2,(H,24,25,26);1-2H;1H2;2*1H/b;;22-19+,23-20-;3-1+,4-2+,7-5+,8-6+,10-9+;;;/t17-;;;;;;/m1....../s1
• InChIKey: RBRWNUIHVXGYEH-CTFJWKIDSA-N
• XLogP: 10.69
• TPSA: 511.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1697.31
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate?

The IUPAC name of (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate (CID 159002896) is (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate.

What is the SMILES notation for (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate?

The canonical SMILES for (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate is CC(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)N1CCCc2cc(Cl)ccc21.O.[H]/N=C1/C=C(CN2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)C=C/C1=N\[H].[H]/N=N/N=N/N=N/N=N/N=N/[H].[H][H].[H][H].

What is the InChIKey of (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate?

The InChIKey is RBRWNUIHVXGYEH-CTFJWKIDSA-N. The full InChI is InChI=1S/C25H26ClN5O4S2.C24H24F3N5O4S.C21H23N7O2S.H2N10.H2O.2H2/c1-17(30-11-2-3-18-15-19(26)4-9-22(18)30)24(33)29-12-13-31(23(32)16-29)20-5-7-21(8-6-20)37(34,35)28-25-27-10-14-36-25;1-17(36-20-6-2-18(3-7-20)24(25,26)27)23(33)32-14-12-31(13-15-32)19-4-8-21(9-5-19)37(34,35)30-22-10-11-28-16-29-22;22-19-6-1-16(13-20(19)23)14-27-9-11-28(12-10-27)17-2-4-18(5-3-17)31(29,30)26-21-7-8-24-15-25-21;1-3-5-7-9-10-8-6-4-2;;;/h4-10,14-15,17H,2-3,11-13,16H2,1H3,(H,27,28);2-11,16-17H,12-15H2,1H3,(H,28,29,30);1-8,13,15,22-23H,9-12,14H2,(H,24,25,26);1-2H;1H2;2*1H/b;;22-19+,23-20-;3-1+,4-2+,7-5+,8-6+,10-9+;;;/t17-;;;;;;/m1....../s1.

What are the key properties of (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate?

(E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate has a molecular weight of 1697.31 g/mol, XLogP of 10.69, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-bis[(E)-diazenyldiazenyl]diazene;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(3,4-diiminocyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide;hydrate is sourced from PubChem (CID 159002896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).