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

C18H17Cl2NO4S — CID 134933796

IUPACethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4S/c1-3-25-18(22)11-17(15-9-6-13(19)10-16(15)20)21-26(23,24)14-7-4-12(2)5-8-14/h4-11,21H,3H2,1-2H3/b17-11-
InChIKeyPOCPZKCTHJWRAS-BOPFTXTBSA-N
MW414.31 g/mol
LogP4.18
Rot. Bonds6

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

ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (PubChem CID 134933796) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
PubChem CID134933796
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Nameethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4S/c1-3-25-18(22)11-17(15-9-6-13(19)10-16(15)20)21-26(23,24)14-7-4-12(2)5-8-14/h4-11,21H,3H2,1-2H3/b17-11-
InChIKeyPOCPZKCTHJWRAS-BOPFTXTBSA-N
XLogP4.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.18
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

2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
ethyl (Z)-3-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122220841
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 11293279
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (CID 134933796) is ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is CCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The InChIKey is POCPZKCTHJWRAS-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c1-3-25-18(22)11-17(15-9-6-13(19)10-16(15)20)21-26(23,24)14-7-4-12(2)5-8-14/h4-11,21H,3H2,1-2H3/b17-11-.
What are the key properties of ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate has a molecular weight of 414.31 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is sourced from PubChem (CID 134933796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).