2-phenylethenesulfonic acid;pyridine

C13H13NO3S — CID 173034936

IUPAC2-phenylethenesulfonic acid;pyridine
SMILESO=S(=O)(O)C=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C8H8O3S.C5H5N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-7H,(H,9,10,11);1-5H
InChIKeyRUYABNZYCIOHKQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.63
Rot. Bonds2

About 2-phenylethenesulfonic acid;pyridine

2-phenylethenesulfonic acid;pyridine (PubChem CID 173034936) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-phenylethenesulfonic acid;pyridine.

Molecular Properties

Compound Name2-phenylethenesulfonic acid;pyridine
PubChem CID173034936
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-phenylethenesulfonic acid;pyridine
SMILESO=S(=O)(O)C=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C8H8O3S.C5H5N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-7H,(H,9,10,11);1-5H
InChIKeyRUYABNZYCIOHKQ-UHFFFAOYSA-N
XLogP2.63
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 161089433
CID 161089433
CID 159387083
CID 159387083
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
2-ethenylpyridine;2-phenylethenesulfonic acid
CID 88722678
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366
2-methylprop-2-enamide;2-phenylethenesulfonic acid
CID 146593099
stilbene;sulfuric acid
CID 67612140
bis(pyridine);sulfuric acid
CID 57357654
benzaldehyde;bis(pyridine)
CID 174954830
(E)-2-pyrimidin-5-ylethenesulfonic acid
CID 18456817

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenesulfonic acid;pyridine?
The IUPAC name of 2-phenylethenesulfonic acid;pyridine (CID 173034936) is 2-phenylethenesulfonic acid;pyridine.
What is the SMILES notation for 2-phenylethenesulfonic acid;pyridine?
The canonical SMILES for 2-phenylethenesulfonic acid;pyridine is O=S(=O)(O)C=Cc1ccccc1.c1ccncc1.
What is the InChIKey of 2-phenylethenesulfonic acid;pyridine?
The InChIKey is RUYABNZYCIOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C5H5N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-7H,(H,9,10,11);1-5H.
What are the key properties of 2-phenylethenesulfonic acid;pyridine?
2-phenylethenesulfonic acid;pyridine has a molecular weight of 263.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenesulfonic acid;pyridine is sourced from PubChem (CID 173034936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).