disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate

C14H10Na2O8S2 — CID 139911100

IUPACdisodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(O)ccc1C=Cc1ccc(O)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H12O8S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8,15-16H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChIKeyJBFVTFJDHMFSRH-UHFFFAOYSA-L
MW416.34 g/mol
LogP-4.92
Rot. Bonds4

About disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate

disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate (PubChem CID 139911100) has the molecular formula C14H10Na2O8S2 and a molecular weight of 416.34 g/mol. Its IUPAC name is disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate.

Molecular Properties

Compound Namedisodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate
PubChem CID139911100
Molecular FormulaC14H10Na2O8S2
Molecular Weight416.34 g/mol
Exact Mass415.96
IUPAC Namedisodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(O)ccc1C=Cc1ccc(O)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H12O8S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8,15-16H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChIKeyJBFVTFJDHMFSRH-UHFFFAOYSA-L
XLogP-4.92
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 5-4.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate 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

disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 517203
disodium;5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 135570583
2,5-dihydroxybenzenesulfonate
CID 3625248
magnesium;bis(2,5-dihydroxybenzenesulfonate);hydrate
CID 141144154
sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate
CID 154734921
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
CID 4216510
disodium;2,5-dihydroxybenzene-1,3-disulfonate
CID 3022572
azanium 2,4-dihydroxybenzenesulfonate
CID 6453214
disodium;5-(phenylcarbamoylamino)-2-[2-[4-(phenylcarbamoylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 78410879
2-amino-4-hydroxybenzenesulfonate
CID 22943018
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636

Frequently Asked Questions

What is the IUPAC name of disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The IUPAC name of disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate (CID 139911100) is disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate.
What is the SMILES notation for disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The canonical SMILES for disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate is O=S(=O)([O-])c1cc(O)ccc1C=Cc1ccc(O)cc1S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The InChIKey is JBFVTFJDHMFSRH-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12O8S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8,15-16H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2.
What are the key properties of disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate?
disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate has a molecular weight of 416.34 g/mol, XLogP of -4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate is sourced from PubChem (CID 139911100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).