silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide

C13H10AgBrN2O3S — CID 165411671

IUPACsilver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide
SMILESNC(=O)c1ccc(Br)cc1-c1cccc([N+](=O)[O-])c1.[Ag+].[SH-]
InChIInChI=1S/C13H9BrN2O3.Ag.H2S/c14-9-4-5-11(13(15)17)12(7-9)8-2-1-3-10(6-8)16(18)19;;/h1-7H,(H2,15,17);;1H2/q;+1;/p-1
InChIKeyFBUFNWMOIYAIOA-UHFFFAOYSA-M
MW462.07 g/mol
LogP2.85
Rot. Bonds3

About silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide

silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide (PubChem CID 165411671) has the molecular formula C13H10AgBrN2O3S and a molecular weight of 462.07 g/mol. Its IUPAC name is silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide.

Molecular Properties

Compound Namesilver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide
PubChem CID165411671
Molecular FormulaC13H10AgBrN2O3S
Molecular Weight462.07 g/mol
Exact Mass459.86
IUPAC Namesilver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide
SMILESNC(=O)c1ccc(Br)cc1-c1cccc([N+](=O)[O-])c1.[Ag+].[SH-]
InChIInChI=1S/C13H9BrN2O3.Ag.H2S/c14-9-4-5-11(13(15)17)12(7-9)8-2-1-3-10(6-8)16(18)19;;/h1-7H,(H2,15,17);;1H2/q;+1;/p-1
InChIKeyFBUFNWMOIYAIOA-UHFFFAOYSA-M
XLogP2.85
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-nitrophenyl)quinoline-2-carboxamide
CID 70487298
1-bromo-3-nitrobenzene;zinc
CID 159421870
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
5-(3-nitrophenyl)furan-2-carbothioamide
CID 82118861
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
2-ethyl-4-nitrobenzamide
CID 22004501
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
5-bromo-2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4142059

Frequently Asked Questions

What is the IUPAC name of silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide?
The IUPAC name of silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide (CID 165411671) is silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide.
What is the SMILES notation for silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide?
The canonical SMILES for silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide is NC(=O)c1ccc(Br)cc1-c1cccc([N+](=O)[O-])c1.[Ag+].[SH-].
What is the InChIKey of silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide?
The InChIKey is FBUFNWMOIYAIOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9BrN2O3.Ag.H2S/c14-9-4-5-11(13(15)17)12(7-9)8-2-1-3-10(6-8)16(18)19;;/h1-7H,(H2,15,17);;1H2/q;+1;/p-1.
What are the key properties of silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide?
silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide has a molecular weight of 462.07 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide is sourced from PubChem (CID 165411671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).