silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide

C6H5AgN4O7S — CID 155552773

IUPACsilver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide
SMILESNc1cc(S(=O)(=O)[N-][N+](=O)[O-])cc([N+](=O)[O-])c1O.[Ag+]
InChIInChI=1S/C6H5N4O7S.Ag/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13;/h1-2,11H,7H2;/q-1;+1
InChIKeyDQIAIQBAUCKBTK-UHFFFAOYSA-N
MW385.06 g/mol
LogP0.13
Rot. Bonds4

About silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide

silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide (PubChem CID 155552773) has the molecular formula C6H5AgN4O7S and a molecular weight of 385.06 g/mol. Its IUPAC name is silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide.

Molecular Properties

Compound Namesilver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide
PubChem CID155552773
Molecular FormulaC6H5AgN4O7S
Molecular Weight385.06 g/mol
Exact Mass383.89
IUPAC Namesilver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide
SMILESNc1cc(S(=O)(=O)[N-][N+](=O)[O-])cc([N+](=O)[O-])c1O.[Ag+]
InChIInChI=1S/C6H5N4O7S.Ag/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13;/h1-2,11H,7H2;/q-1;+1
InChIKeyDQIAIQBAUCKBTK-UHFFFAOYSA-N
XLogP0.13
TPSA180.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide?
The IUPAC name of silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide (CID 155552773) is silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide.
What is the SMILES notation for silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide?
The canonical SMILES for silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide is Nc1cc(S(=O)(=O)[N-][N+](=O)[O-])cc([N+](=O)[O-])c1O.[Ag+].
What is the InChIKey of silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide?
The InChIKey is DQIAIQBAUCKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N4O7S.Ag/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13;/h1-2,11H,7H2;/q-1;+1.
What are the key properties of silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide?
silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide has a molecular weight of 385.06 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide is sourced from PubChem (CID 155552773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).