sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride

C7H8ClNaO6S — CID 175438165

IUPACsodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[Na+]
InChIInChI=1S/C7H6O6S.ClH.Na.H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;/h1-3,8H,(H,9,10)(H,11,12,13);1H;;/q;;+1;-1
InChIKeyHJNDRQISNRXIMR-UHFFFAOYSA-N
MW278.64 g/mol
LogP-2.12
Rot. Bonds2

About sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride

sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride (PubChem CID 175438165) has the molecular formula C7H8ClNaO6S and a molecular weight of 278.64 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
PubChem CID175438165
Molecular FormulaC7H8ClNaO6S
Molecular Weight278.64 g/mol
Exact Mass277.96
IUPAC Namesodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[Na+]
InChIInChI=1S/C7H6O6S.ClH.Na.H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;/h1-3,8H,(H,9,10)(H,11,12,13);1H;;/q;;+1;-1
InChIKeyHJNDRQISNRXIMR-UHFFFAOYSA-N
XLogP-2.12
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
ethane-1,2-diol;2-hydroxy-5-sulfobenzoic acid;dihydrate
CID 175240045
acetic acid;2-hydroxy-5-sulfobenzoic acid;propanoic acid
CID 161008670
CID 173341839
CID 173341839
4-sulfophthalic acid;trihydrochloride
CID 173375578
guanidine;2-hydroxy-5-sulfobenzoic acid;propan-2-ol
CID 157150038
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504
sodium 2-carboxy-5-sulfobenzoate
CID 23686671
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
3-carboxy-4-hydroxybenzenesulfonate;carboxymethylazanium
CID 139086437

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride?
The IUPAC name of sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride (CID 175438165) is sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride.
What is the SMILES notation for sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride?
The canonical SMILES for sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride is Cl.O=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride?
The InChIKey is HJNDRQISNRXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6S.ClH.Na.H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;/h1-3,8H,(H,9,10)(H,11,12,13);1H;;/q;;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride?
sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride has a molecular weight of 278.64 g/mol, XLogP of -2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride is sourced from PubChem (CID 175438165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).