ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

C19H19Cl2NO4S — CID 11293279

IUPACethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(Cl)cc1Cl)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO4S/c1-3-26-19(23)15(10-14-6-7-16(20)11-18(14)21)12-22-27(24,25)17-8-4-13(2)5-9-17/h4-11,22H,3,12H2,1-2H3/b15-10+
InChIKeyDCDYBMFIADHHQR-XNTDXEJSSA-N
MW428.34 g/mol
LogP4.23
Rot. Bonds7

About ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate (PubChem CID 11293279) has the molecular formula C19H19Cl2NO4S and a molecular weight of 428.34 g/mol. Its IUPAC name is ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
PubChem CID11293279
Molecular FormulaC19H19Cl2NO4S
Molecular Weight428.34 g/mol
Exact Mass427.04
IUPAC Nameethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(Cl)cc1Cl)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO4S/c1-3-26-19(23)15(10-14-6-7-16(20)11-18(14)21)12-22-27(24,25)17-8-4-13(2)5-9-17/h4-11,22H,3,12H2,1-2H3/b15-10+
InChIKeyDCDYBMFIADHHQR-XNTDXEJSSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 12034641
ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134933796
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
CID 4665186
3-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 3708670
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4256696
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate (CID 11293279) is ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate is CCOC(=O)/C(=C/c1ccc(Cl)cc1Cl)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The InChIKey is DCDYBMFIADHHQR-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H19Cl2NO4S/c1-3-26-19(23)15(10-14-6-7-16(20)11-18(14)21)12-22-27(24,25)17-8-4-13(2)5-9-17/h4-11,22H,3,12H2,1-2H3/b15-10+.
What are the key properties of ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate has a molecular weight of 428.34 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate is sourced from PubChem (CID 11293279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).