silver (3-aminophenyl)sulfonyl-nitroazanide

C6H6AgN3O4S — CID 155538289

IUPACsilver (3-aminophenyl)sulfonyl-nitroazanide
SMILESNc1cccc(S(=O)(=O)[N-][N+](=O)[O-])c1.[Ag+]
InChIInChI=1S/C6H6N3O4S.Ag/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11;/h1-4H,7H2;/q-1;+1
InChIKeyKSIQFYQTAYFXEJ-UHFFFAOYSA-N
MW324.07 g/mol
LogP0.52
Rot. Bonds3

About silver (3-aminophenyl)sulfonyl-nitroazanide

silver (3-aminophenyl)sulfonyl-nitroazanide (PubChem CID 155538289) has the molecular formula C6H6AgN3O4S and a molecular weight of 324.07 g/mol. Its IUPAC name is silver (3-aminophenyl)sulfonyl-nitroazanide.

Molecular Properties

Compound Namesilver (3-aminophenyl)sulfonyl-nitroazanide
PubChem CID155538289
Molecular FormulaC6H6AgN3O4S
Molecular Weight324.07 g/mol
Exact Mass322.91
IUPAC Namesilver (3-aminophenyl)sulfonyl-nitroazanide
SMILESNc1cccc(S(=O)(=O)[N-][N+](=O)[O-])c1.[Ag+]
InChIInChI=1S/C6H6N3O4S.Ag/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11;/h1-4H,7H2;/q-1;+1
InChIKeyKSIQFYQTAYFXEJ-UHFFFAOYSA-N
XLogP0.52
TPSA117.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.07
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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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Related Compounds

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3-amino-N-(2-bromo-4-nitrophenyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of silver (3-aminophenyl)sulfonyl-nitroazanide?
The IUPAC name of silver (3-aminophenyl)sulfonyl-nitroazanide (CID 155538289) is silver (3-aminophenyl)sulfonyl-nitroazanide.
What is the SMILES notation for silver (3-aminophenyl)sulfonyl-nitroazanide?
The canonical SMILES for silver (3-aminophenyl)sulfonyl-nitroazanide is Nc1cccc(S(=O)(=O)[N-][N+](=O)[O-])c1.[Ag+].
What is the InChIKey of silver (3-aminophenyl)sulfonyl-nitroazanide?
The InChIKey is KSIQFYQTAYFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3O4S.Ag/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11;/h1-4H,7H2;/q-1;+1.
What are the key properties of silver (3-aminophenyl)sulfonyl-nitroazanide?
silver (3-aminophenyl)sulfonyl-nitroazanide has a molecular weight of 324.07 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver (3-aminophenyl)sulfonyl-nitroazanide is sourced from PubChem (CID 155538289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).