N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide

C22H19NO4S — CID 69404472

IUPACN-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C(O)=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO4S/c1-16-7-13-20(14-8-16)28(26,27)23-19-11-9-18(10-12-19)22(25)21(24)15-17-5-3-2-4-6-17/h2-15,23-24H,1H3/b21-15-
InChIKeyYVSLBEGKSTWZCL-QNGOZBTKSA-N
MW393.46 g/mol
LogP4.58
Rot. Bonds6

About N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 69404472) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID69404472
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC NameN-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C(O)=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO4S/c1-16-7-13-20(14-8-16)28(26,27)23-19-11-9-18(10-12-19)22(25)21(24)15-17-5-3-2-4-6-17/h2-15,23-24H,1H3/b21-15-
InChIKeyYVSLBEGKSTWZCL-QNGOZBTKSA-N
XLogP4.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 66675687
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 68660292
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (CID 69404472) is N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C(O)=C/c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is YVSLBEGKSTWZCL-QNGOZBTKSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-16-7-13-20(14-8-16)28(26,27)23-19-11-9-18(10-12-19)22(25)21(24)15-17-5-3-2-4-6-17/h2-15,23-24H,1H3/b21-15-.
What are the key properties of N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 69404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).