sodium;hydride;2-nitrobenzenesulfinic acid

C6H6NNaO4S — CID 132648001

IUPACsodium;hydride;2-nitrobenzenesulfinic acid
SMILESO=[N+]([O-])c1ccccc1S(=O)O.[H-].[Na+]
InChIInChI=1S/C6H5NO4S.Na.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1
InChIKeyFBRNBQJRHKGGGQ-UHFFFAOYSA-N
MW211.17 g/mol
LogP-1.71
Rot. Bonds2

About sodium;hydride;2-nitrobenzenesulfinic acid

sodium;hydride;2-nitrobenzenesulfinic acid (PubChem CID 132648001) has the molecular formula C6H6NNaO4S and a molecular weight of 211.17 g/mol. Its IUPAC name is sodium;hydride;2-nitrobenzenesulfinic acid.

Molecular Properties

Compound Namesodium;hydride;2-nitrobenzenesulfinic acid
PubChem CID132648001
Molecular FormulaC6H6NNaO4S
Molecular Weight211.17 g/mol
Exact Mass210.99
IUPAC Namesodium;hydride;2-nitrobenzenesulfinic acid
SMILESO=[N+]([O-])c1ccccc1S(=O)O.[H-].[Na+]
InChIInChI=1S/C6H5NO4S.Na.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1
InChIKeyFBRNBQJRHKGGGQ-UHFFFAOYSA-N
XLogP-1.71
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;2-nitrobenzenesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;hydride;2-nitrobenzenesulfinic acid
CID 173256156
disodium;hydride;2-nitrophenol
CID 174745512
1-[(R)-chloromethylsulfinyl]-2-nitrobenzene
CID 139084527
benzene-1,2-disulfinic acid
CID 19813698
4-(2-nitrophenyl)sulfinylbutanoic acid
CID 61303159
3-methyl-2-(2-nitrophenyl)sulfinylbutanoic acid
CID 61302764
2-(2-nitrophenyl)benzenesulfinate
CID 67258101
4-cyano-2-nitrobenzenesulfinic acid
CID 165449916
sodium;hydride;2-nitrobenzoic acid
CID 173210089
azanide;1,2-dinitrobenzene;platinum
CID 158959684
3-amino-2-(2-nitrophenyl)sulfinylpropanoic acid
CID 64694034
sodium;4-chloro-3-nitrobenzenesulfinic acid;hydride
CID 173077568

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-nitrobenzenesulfinic acid?
The IUPAC name of sodium;hydride;2-nitrobenzenesulfinic acid (CID 132648001) is sodium;hydride;2-nitrobenzenesulfinic acid.
What is the SMILES notation for sodium;hydride;2-nitrobenzenesulfinic acid?
The canonical SMILES for sodium;hydride;2-nitrobenzenesulfinic acid is O=[N+]([O-])c1ccccc1S(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-nitrobenzenesulfinic acid?
The InChIKey is FBRNBQJRHKGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4S.Na.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;2-nitrobenzenesulfinic acid?
sodium;hydride;2-nitrobenzenesulfinic acid has a molecular weight of 211.17 g/mol, XLogP of -1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-nitrobenzenesulfinic acid is sourced from PubChem (CID 132648001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).