2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver

C32H40AgCl2N14O2S — CID 173100671

IUPAC2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
SMILESNC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Ag]
InChIInChI=1S/C22H30Cl2N10.C10H10N4O2S.Ag/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-7H,11H2,(H,12,13,14);
InChIKeyFBPSZUDEVWVNMW-UHFFFAOYSA-N
MW863.61 g/mol
LogP4.19
Rot. Bonds12

About 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver

2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver (PubChem CID 173100671) has the molecular formula C32H40AgCl2N14O2S and a molecular weight of 863.61 g/mol. Its IUPAC name is 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver.

Molecular Properties

Compound Name2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
PubChem CID173100671
Molecular FormulaC32H40AgCl2N14O2S
Molecular Weight863.61 g/mol
Exact Mass861.16
IUPAC Name2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
SMILESNC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Ag]
InChIInChI=1S/C22H30Cl2N10.C10H10N4O2S.Ag/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-7H,11H2,(H,12,13,14);
InChIKeyFBPSZUDEVWVNMW-UHFFFAOYSA-N
XLogP4.19
TPSA275.55 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.61
LogP ≤ 54.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;phosphoric acid
CID 70657598
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;formaldehyde;urea
CID 174805823
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
2-[6-[[amino-[[N'-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 125287601
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;fluorophosphonic acid
CID 173070773
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2,3-dihydroxybutanedioic acid
CID 71487845
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;prop-1-ene
CID 70280608
1-[amino-(4-chloroanilino)methylidene]-2-(3-hydroxypropyl)guanidine
CID 70648810

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver?
The IUPAC name of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver (CID 173100671) is 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver.
What is the SMILES notation for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver?
The canonical SMILES for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver is NC(=N/C(N)=N/CCCCCC/N=C(\N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Ag].
What is the InChIKey of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver?
The InChIKey is FBPSZUDEVWVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N10.C10H10N4O2S.Ag/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-7H,11H2,(H,12,13,14);.
What are the key properties of 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver?
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver has a molecular weight of 863.61 g/mol, XLogP of 4.19, 12 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver is sourced from PubChem (CID 173100671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).