2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid

C14H16N4O6S2 — CID 88779542

IUPAC2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid
SMILESNNc1cccc(/C=C/c2cccc(NN)c2S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C14H16N4O6S2/c15-17-11-5-1-3-9(13(11)25(19,20)21)7-8-10-4-2-6-12(18-16)14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)/b8-7+
InChIKeyQUNFVDGDIOAVSP-BQYQJAHWSA-N
MW400.44 g/mol
LogP0.92
Rot. Bonds6

About 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid

2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid (PubChem CID 88779542) has the molecular formula C14H16N4O6S2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid
PubChem CID88779542
Molecular FormulaC14H16N4O6S2
Molecular Weight400.44 g/mol
Exact Mass400.05
IUPAC Name2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid
SMILESNNc1cccc(/C=C/c2cccc(NN)c2S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C14H16N4O6S2/c15-17-11-5-1-3-9(13(11)25(19,20)21)7-8-10-4-2-6-12(18-16)14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)/b8-7+
InChIKeyQUNFVDGDIOAVSP-BQYQJAHWSA-N
XLogP0.92
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 50.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid?
The IUPAC name of 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid (CID 88779542) is 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid.
What is the SMILES notation for 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid?
The canonical SMILES for 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid is NNc1cccc(/C=C/c2cccc(NN)c2S(=O)(=O)O)c1S(=O)(=O)O.
What is the InChIKey of 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid?
The InChIKey is QUNFVDGDIOAVSP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16N4O6S2/c15-17-11-5-1-3-9(13(11)25(19,20)21)7-8-10-4-2-6-12(18-16)14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)/b8-7+.
What are the key properties of 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid?
2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid has a molecular weight of 400.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-[(E)-2-(3-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid is sourced from PubChem (CID 88779542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).