sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide

C40H55Br2F2N16NaO10S2 — CID 159342519

About sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide

sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide (PubChem CID 159342519) has the molecular formula C40H55Br2F2N16NaO10S2 and a molecular weight of 1204.91 g/mol. Its IUPAC name is sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide
• PubChem CID: 159342519
• Molecular Formula: C40H55Br2F2N16NaO10S2
• Molecular Weight: 1204.91 g/mol
• Exact Mass: 1202.20
• IUPAC Name: sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide
• SMILES: C.N/C(=N\CCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)NS(=O)(=O)CC1CCCCC1.N/C(=N\CCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO)NS(=O)(=O)CC1CCCCC1.[Na+].[OH-]
• InChI: InChI=1S/C20H24BrFN8O5S.C19H26BrFN8O4S.CH4.Na.H2O/c21-14-10-13(6-7-15(14)22)30-18(28-34-20(30)31)16-17(27-35-26-16)24-8-9-25-19(23)29-36(32,33)11-12-4-2-1-3-5-12;20-14-10-13(6-7-15(14)21)25-18(26-30)16-17(28-33-27-16)23-8-9-24-19(22)29-34(31,32)11-12-4-2-1-3-5-12;;;/h6-7,10,12H,1-5,8-9,11H2,(H,24,27)(H3,23,25,29);6-7,10,12,30H,1-5,8-9,11H2,(H,23,28)(H,25,26)(H3,22,24,29);1H4;;1H2/q;;;+1;/p-1
• InChIKey: LGHQVLGDMGAYLM-UHFFFAOYSA-M
• XLogP: 1.72
• TPSA: 393.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.91
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide?

The IUPAC name of sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide (CID 159342519) is sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide.

What is the SMILES notation for sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide?

The canonical SMILES for sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide is C.N/C(=N\CCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)NS(=O)(=O)CC1CCCCC1.N/C(=N\CCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO)NS(=O)(=O)CC1CCCCC1.[Na+].[OH-].

What is the InChIKey of sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide?

The InChIKey is LGHQVLGDMGAYLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24BrFN8O5S.C19H26BrFN8O4S.CH4.Na.H2O/c21-14-10-13(6-7-15(14)22)30-18(28-34-20(30)31)16-17(27-35-26-16)24-8-9-25-19(23)29-36(32,33)11-12-4-2-1-3-5-12;20-14-10-13(6-7-15(14)21)25-18(26-30)16-17(28-33-27-16)23-8-9-24-19(22)29-34(31,32)11-12-4-2-1-3-5-12;;;/h6-7,10,12H,1-5,8-9,11H2,(H,24,27)(H3,23,25,29);6-7,10,12,30H,1-5,8-9,11H2,(H,23,28)(H,25,26)(H3,22,24,29);1H4;;1H2/q;;;+1;/p-1.

What are the key properties of sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide?

sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide has a molecular weight of 1204.91 g/mol, XLogP of 1.72, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[2-[[amino-(cyclohexylmethylsulfonylamino)methylidene]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-1-(cyclohexylmethylsulfonyl)guanidine;methane;hydroxide is sourced from PubChem (CID 159342519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).