3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

C19H19NO4S — CID 159858709

IUPAC3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)NC/C=C/c2ccccc2)c1)CO
InChIInChI=1S/C19H19NO4S/c21-15-18(22)12-11-17-8-4-10-19(14-17)25(23,24)20-13-5-9-16-6-2-1-3-7-16/h1-12,14,20-21H,13,15H2/b9-5+,12-11+
InChIKeyZIGWRWZUHQHTMO-LCXVDEDSSA-N
MW357.43 g/mol
LogP2.25
Rot. Bonds8

About 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 159858709) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID159858709
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)NC/C=C/c2ccccc2)c1)CO
InChIInChI=1S/C19H19NO4S/c21-15-18(22)12-11-17-8-4-10-19(14-17)25(23,24)20-13-5-9-16-6-2-1-3-7-16/h1-12,14,20-21H,13,15H2/b9-5+,12-11+
InChIKeyZIGWRWZUHQHTMO-LCXVDEDSSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide 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

N-benzyl-3-[(E)-4-hydroxy-3-oxobut-1-enyl]benzenesulfonamide
CID 159114117
3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640
(E)-3-[3-(2-phenylethylsulfamoyl)phenyl]prop-2-enoic acid
CID 22492494
3-[3-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907979
3-[3-(2-acetamidoethylsulfamoyl)phenyl]prop-2-enoic acid
CID 76907873
3-[3-(benzhydrylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019562
3-[3-(propan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 54971829
3-[3-[[3-(methylamino)-3-oxopropyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 76927143
2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide
CID 87519136
3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019525
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
3-[3-[2-[ethyl(methyl)amino]ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 76947502

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (CID 159858709) is 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is O=C(/C=C/c1cccc(S(=O)(=O)NC/C=C/c2ccccc2)c1)CO.
What is the InChIKey of 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is ZIGWRWZUHQHTMO-LCXVDEDSSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-15-18(22)12-11-17-8-4-10-19(14-17)25(23,24)20-13-5-9-16-6-2-1-3-7-16/h1-12,14,20-21H,13,15H2/b9-5+,12-11+.
What are the key properties of 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 159858709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).