disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid

C20H18Na2O3S — CID 173092772

IUPACdisodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/C=C/c1ccccc1-c1ccccc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H16O3S.2Na.2H/c21-24(22,23)20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16;;;;/h1-15H,(H,21,22,23);;;;/q;2*+1;2*-1/b15-14+;;;;
InChIKeyAKFKYHVOQNZHRP-YRWWQZRJSA-N
MW384.41 g/mol
LogP-1.00
Rot. Bonds4

About disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid

disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid (PubChem CID 173092772) has the molecular formula C20H18Na2O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid
PubChem CID173092772
Molecular FormulaC20H18Na2O3S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Namedisodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/C=C/c1ccccc1-c1ccccc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H16O3S.2Na.2H/c21-24(22,23)20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16;;;;/h1-15H,(H,21,22,23);;;;/q;2*+1;2*-1/b15-14+;;;;
InChIKeyAKFKYHVOQNZHRP-YRWWQZRJSA-N
XLogP-1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid?
The IUPAC name of disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid (CID 173092772) is disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid.
What is the SMILES notation for disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid?
The canonical SMILES for disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid is O=S(=O)(O)c1ccccc1/C=C/c1ccccc1-c1ccccc1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid?
The InChIKey is AKFKYHVOQNZHRP-YRWWQZRJSA-N. The full InChI is InChI=1S/C20H16O3S.2Na.2H/c21-24(22,23)20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16;;;;/h1-15H,(H,21,22,23);;;;/q;2*+1;2*-1/b15-14+;;;;.
What are the key properties of disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid?
disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid has a molecular weight of 384.41 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid is sourced from PubChem (CID 173092772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).