sodium;hydride;4-nitro-2-sulfobenzoic acid

C7H6NNaO7S — CID 173234399

IUPACsodium;hydride;4-nitro-2-sulfobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H5NO7S.Na.H/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;;/h1-3H,(H,9,10)(H,13,14,15);;/q;+1;-1
InChIKeyFBKPMBTZQOWIIM-UHFFFAOYSA-N
MW271.18 g/mol
LogP-2.34
Rot. Bonds3

About sodium;hydride;4-nitro-2-sulfobenzoic acid

sodium;hydride;4-nitro-2-sulfobenzoic acid (PubChem CID 173234399) has the molecular formula C7H6NNaO7S and a molecular weight of 271.18 g/mol. Its IUPAC name is sodium;hydride;4-nitro-2-sulfobenzoic acid.

Molecular Properties

Compound Namesodium;hydride;4-nitro-2-sulfobenzoic acid
PubChem CID173234399
Molecular FormulaC7H6NNaO7S
Molecular Weight271.18 g/mol
Exact Mass270.98
IUPAC Namesodium;hydride;4-nitro-2-sulfobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H5NO7S.Na.H/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;;/h1-3H,(H,9,10)(H,13,14,15);;/q;+1;-1
InChIKeyFBKPMBTZQOWIIM-UHFFFAOYSA-N
XLogP-2.34
TPSA134.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
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

sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
CID 173084688
2-methylperoxycarbonyl-5-nitrobenzenesulfonic acid
CID 54052650
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
sodium;hydride;2-sulfoterephthalic acid
CID 173004511
bis(4-nitrophthalic acid);zirconium
CID 5176883
sodium;2-chloro-4-nitrobenzenesulfonic acid;hydride
CID 173278342
2-(carboxymethyl)-4-nitrobenzoic acid
CID 7172025
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
potassium;hydride;4-iodo-2-sulfobenzoic acid
CID 173191669
CID 173442073
CID 173442073
CID 131878573
CID 131878573
2,5-dinitrobenzenesulfonic acid;sulfurochloridic acid
CID 89253341

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-nitro-2-sulfobenzoic acid?
The IUPAC name of sodium;hydride;4-nitro-2-sulfobenzoic acid (CID 173234399) is sodium;hydride;4-nitro-2-sulfobenzoic acid.
What is the SMILES notation for sodium;hydride;4-nitro-2-sulfobenzoic acid?
The canonical SMILES for sodium;hydride;4-nitro-2-sulfobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-nitro-2-sulfobenzoic acid?
The InChIKey is FBKPMBTZQOWIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO7S.Na.H/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;;/h1-3H,(H,9,10)(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;4-nitro-2-sulfobenzoic acid?
sodium;hydride;4-nitro-2-sulfobenzoic acid has a molecular weight of 271.18 g/mol, XLogP of -2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-nitro-2-sulfobenzoic acid is sourced from PubChem (CID 173234399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).