magnesium;hydride;3-nitrobenzenesulfonic acid

C6H7MgNO5S — CID 175405525

IUPACmagnesium;hydride;3-nitrobenzenesulfonic acid
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5NO5S.Mg.2H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;;/h1-4H,(H,10,11,12);;;/q;+2;2*-1
InChIKeyFURPGRFOQLPARQ-UHFFFAOYSA-N
MW229.50 g/mol
LogP0.69
Rot. Bonds2

About magnesium;hydride;3-nitrobenzenesulfonic acid

magnesium;hydride;3-nitrobenzenesulfonic acid (PubChem CID 175405525) has the molecular formula C6H7MgNO5S and a molecular weight of 229.50 g/mol. Its IUPAC name is magnesium;hydride;3-nitrobenzenesulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;3-nitrobenzenesulfonic acid
PubChem CID175405525
Molecular FormulaC6H7MgNO5S
Molecular Weight229.50 g/mol
Exact Mass228.99
IUPAC Namemagnesium;hydride;3-nitrobenzenesulfonic acid
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5NO5S.Mg.2H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;;/h1-4H,(H,10,11,12);;;/q;+2;2*-1
InChIKeyFURPGRFOQLPARQ-UHFFFAOYSA-N
XLogP0.69
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.50
LogP ≤ 50.69
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;3-nitrobenzenesulfonic acid
CID 173005538
3-nitrobenzenesulfonic acid
CID 7387
azane;3-nitrobenzenesulfonic acid
CID 158094440
azanylidyneazanium;3-nitrobenzenesulfonic acid;chloride
CID 22643857
4-chlorobenzenesulfonic acid;3-nitrobenzenesulfonic acid
CID 88780648
(2S)-2-aminopropanoic acid;3-nitrobenzenesulfonic acid
CID 88641735
N-(disulfanyl)formamide;bis(3-nitrobenzenesulfonic acid)
CID 88789240
silver 3-nitrobenzenesulfonate
CID 139842266
1-nitro-3-(trifluoromethylsulfonyl)benzene
CID 5052292
(3-nitrophenyl)sulfonyloxy 3-nitrobenzenesulfonate
CID 14245606
4-nitrobenzenesulfonic acid
CID 160847002
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;3-nitrobenzenesulfonic acid?
The IUPAC name of magnesium;hydride;3-nitrobenzenesulfonic acid (CID 175405525) is magnesium;hydride;3-nitrobenzenesulfonic acid.
What is the SMILES notation for magnesium;hydride;3-nitrobenzenesulfonic acid?
The canonical SMILES for magnesium;hydride;3-nitrobenzenesulfonic acid is O=[N+]([O-])c1cccc(S(=O)(=O)O)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;3-nitrobenzenesulfonic acid?
The InChIKey is FURPGRFOQLPARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO5S.Mg.2H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;;/h1-4H,(H,10,11,12);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;3-nitrobenzenesulfonic acid?
magnesium;hydride;3-nitrobenzenesulfonic acid has a molecular weight of 229.50 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;3-nitrobenzenesulfonic acid is sourced from PubChem (CID 175405525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).