5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid

C14H14N2O3S — CID 172811149

IUPAC5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
SMILESNc1cccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c1
InChIInChI=1S/C14H14N2O3S/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)20(17,18)19/h1-9H,15-16H2,(H,17,18,19)
InChIKeySERLWZBEPSCTJC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid

5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid (PubChem CID 172811149) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
PubChem CID172811149
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
SMILESNc1cccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c1
InChIInChI=1S/C14H14N2O3S/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)20(17,18)19/h1-9H,15-16H2,(H,17,18,19)
InChIKeySERLWZBEPSCTJC-UHFFFAOYSA-N
XLogP2.27
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid?
The IUPAC name of 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid (CID 172811149) is 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid.
What is the SMILES notation for 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid?
The canonical SMILES for 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid is Nc1cccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c1.
What is the InChIKey of 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid?
The InChIKey is SERLWZBEPSCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)20(17,18)19/h1-9H,15-16H2,(H,17,18,19).
What are the key properties of 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid?
5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid has a molecular weight of 290.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid is sourced from PubChem (CID 172811149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).