2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid

C20H16N2O5S — CID 19423377

IUPAC2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChIInChI=1S/C20H16N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-13,23H,(H,21,22)(H,24,25)/b5-4+
InChIKeyUAHMKJJFOGZIDP-SNAWJCMRSA-N
MW396.42 g/mol
LogP3.46
Rot. Bonds6

About 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid

2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid (PubChem CID 19423377) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid
PubChem CID19423377
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChIInChI=1S/C20H16N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-13,23H,(H,21,22)(H,24,25)/b5-4+
InChIKeyUAHMKJJFOGZIDP-SNAWJCMRSA-N
XLogP3.46
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid (CID 19423377) is 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid is O=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid?
The InChIKey is UAHMKJJFOGZIDP-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-13,23H,(H,21,22)(H,24,25)/b5-4+.
What are the key properties of 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid?
2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid has a molecular weight of 396.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 19423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).