sodium;hydride;phenylmethanedisulfonic acid

C7H9NaO6S2 — CID 174651306

IUPACsodium;hydride;phenylmethanedisulfonic acid
SMILESO=S(=O)(O)C(c1ccccc1)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H8O6S2.Na.H/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6;;/h1-5,7H,(H,8,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyRXNJGQVWQVKVDO-UHFFFAOYSA-N
MW276.27 g/mol
LogP-2.42
Rot. Bonds3

About sodium;hydride;phenylmethanedisulfonic acid

sodium;hydride;phenylmethanedisulfonic acid (PubChem CID 174651306) has the molecular formula C7H9NaO6S2 and a molecular weight of 276.27 g/mol. Its IUPAC name is sodium;hydride;phenylmethanedisulfonic acid.

Molecular Properties

Compound Namesodium;hydride;phenylmethanedisulfonic acid
PubChem CID174651306
Molecular FormulaC7H9NaO6S2
Molecular Weight276.27 g/mol
Exact Mass275.97
IUPAC Namesodium;hydride;phenylmethanedisulfonic acid
SMILESO=S(=O)(O)C(c1ccccc1)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H8O6S2.Na.H/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6;;/h1-5,7H,(H,8,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyRXNJGQVWQVKVDO-UHFFFAOYSA-N
XLogP-2.42
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-2.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;hydride;phenylmethanedisulfonic 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

phenyl(phosphanyl)methanesulfonic acid
CID 150026989
1-phenylethanesulfonic acid
CID 10997746
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
(1S,3R)-1-hydroxy-3-phenylpropane-1,3-disulfonic acid
CID 129359835
phenylmethanediamine;sulfuric acid
CID 173298028
CID 131865305
CID 131865305
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
1-phenylprop-2-ene-1-sulfonic acid
CID 158794272
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
sodium;hydride;1-phenylheptadecane-1-sulfonic acid
CID 174686585
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
(4-methylphenyl)-phenylmethanesulfonic acid
CID 22237748

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenylmethanedisulfonic acid?
The IUPAC name of sodium;hydride;phenylmethanedisulfonic acid (CID 174651306) is sodium;hydride;phenylmethanedisulfonic acid.
What is the SMILES notation for sodium;hydride;phenylmethanedisulfonic acid?
The canonical SMILES for sodium;hydride;phenylmethanedisulfonic acid is O=S(=O)(O)C(c1ccccc1)S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenylmethanedisulfonic acid?
The InChIKey is RXNJGQVWQVKVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O6S2.Na.H/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6;;/h1-5,7H,(H,8,9,10)(H,11,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;phenylmethanedisulfonic acid?
sodium;hydride;phenylmethanedisulfonic acid has a molecular weight of 276.27 g/mol, XLogP of -2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenylmethanedisulfonic acid is sourced from PubChem (CID 174651306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).