[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate

C22H19NO4S — CID 7921384

IUPAC[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
SMILESCN(c1ccc(OC(=O)/C=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO4S/c1-23(28(25,26)21-10-6-3-7-11-21)19-13-15-20(16-14-19)27-22(24)17-12-18-8-4-2-5-9-18/h2-17H,1H3/b17-12+
InChIKeyHGUAQAHJDIHELG-SFQUDFHCSA-N
MW393.46 g/mol
LogP4.13
Rot. Bonds6

About [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate

[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 7921384) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID7921384
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
SMILESCN(c1ccc(OC(=O)/C=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO4S/c1-23(28(25,26)21-10-6-3-7-11-21)19-13-15-20(16-14-19)27-22(24)17-12-18-8-4-2-5-9-18/h2-17H,1H3/b17-12+
InChIKeyHGUAQAHJDIHELG-SFQUDFHCSA-N
XLogP4.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-thiophen-2-ylprop-2-enoate
CID 4813559
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900

Frequently Asked Questions

What is the IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate (CID 7921384) is [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate is CN(c1ccc(OC(=O)/C=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is HGUAQAHJDIHELG-SFQUDFHCSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-23(28(25,26)21-10-6-3-7-11-21)19-13-15-20(16-14-19)27-22(24)17-12-18-8-4-2-5-9-18/h2-17H,1H3/b17-12+.
What are the key properties of [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate?
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 393.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 7921384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).