silver 3-nitrobenzenesulfonate

C6H4AgNO5S — CID 139842266

IUPACsilver 3-nitrobenzenesulfonate
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Ag+]
InChIInChI=1S/C6H5NO5S.Ag/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKeyGETZNFWUTADNKR-UHFFFAOYSA-M
MW310.04 g/mol
LogP0.50
Rot. Bonds2

About silver 3-nitrobenzenesulfonate

silver 3-nitrobenzenesulfonate (PubChem CID 139842266) has the molecular formula C6H4AgNO5S and a molecular weight of 310.04 g/mol. Its IUPAC name is silver 3-nitrobenzenesulfonate.

Molecular Properties

Compound Namesilver 3-nitrobenzenesulfonate
PubChem CID139842266
Molecular FormulaC6H4AgNO5S
Molecular Weight310.04 g/mol
Exact Mass308.89
IUPAC Namesilver 3-nitrobenzenesulfonate
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Ag+]
InChIInChI=1S/C6H5NO5S.Ag/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKeyGETZNFWUTADNKR-UHFFFAOYSA-M
XLogP0.50
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-nitrobenzenesulfonic acid
CID 7387
3-nitrobenzenesulfonate;(4-propan-2-ylphenyl)iodanium
CID 159399081
benzyl(methyl)azanium;3-nitrobenzenesulfonate
CID 88506764
azane;3-nitrobenzenesulfonic acid
CID 158094440
(3-nitrophenyl)sulfonyloxy 3-nitrobenzenesulfonate
CID 14245606
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
magnesium;hydride;3-nitrobenzenesulfonic acid
CID 175405525
sodium;hydride;3-nitrobenzenesulfonic acid
CID 173005538
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
1-nitro-3-(trifluoromethylsulfonyl)benzene
CID 5052292
azanylidyneazanium;3-nitrobenzenesulfonic acid;chloride
CID 22643857
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488

Frequently Asked Questions

What is the IUPAC name of silver 3-nitrobenzenesulfonate?
The IUPAC name of silver 3-nitrobenzenesulfonate (CID 139842266) is silver 3-nitrobenzenesulfonate.
What is the SMILES notation for silver 3-nitrobenzenesulfonate?
The canonical SMILES for silver 3-nitrobenzenesulfonate is O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Ag+].
What is the InChIKey of silver 3-nitrobenzenesulfonate?
The InChIKey is GETZNFWUTADNKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO5S.Ag/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1.
What are the key properties of silver 3-nitrobenzenesulfonate?
silver 3-nitrobenzenesulfonate has a molecular weight of 310.04 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-nitrobenzenesulfonate is sourced from PubChem (CID 139842266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).