N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide

C21H17NO4S — CID 6366416

IUPACN-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H/b13-11+
InChIKeyWAGPHWCQZLAVCA-ACCUITESSA-N
MW379.44 g/mol
LogP4.09
Rot. Bonds6

About N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide

N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide (PubChem CID 6366416) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
PubChem CID6366416
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC NameN-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H/b13-11+
InChIKeyWAGPHWCQZLAVCA-ACCUITESSA-N
XLogP4.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 166033666
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
N-[4-hydroxy-3-[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2956443
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 70236184
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 39735032
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327
N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
CID 819586
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide (CID 6366416) is N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide is O=C(/C=C/c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide?
The InChIKey is WAGPHWCQZLAVCA-ACCUITESSA-N. The full InChI is InChI=1S/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H/b13-11+.
What are the key properties of N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide?
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 6366416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).