ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate

C18H18ClNO4S — CID 32676711

IUPACethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-3-24-18(21)11-7-14-5-8-15(9-6-14)20-25(22,23)17-10-4-13(2)12-16(17)19/h4-12,20H,3H2,1-2H3/b11-7+
InChIKeyZEUQRFPPKPTYMF-YRNVUSSQSA-N
MW379.87 g/mol
LogP4.03
Rot. Bonds6

About ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate (PubChem CID 32676711) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
PubChem CID32676711
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Nameethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-3-24-18(21)11-7-14-5-8-15(9-6-14)20-25(22,23)17-10-4-13(2)12-16(17)19/h4-12,20H,3H2,1-2H3/b11-7+
InChIKeyZEUQRFPPKPTYMF-YRNVUSSQSA-N
XLogP4.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35940805
ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214
ethyl (E)-3-[4-(2-chloroethylsulfonylamino)phenyl]prop-2-enoate
CID 107650781
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 74014269
(E)-3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986769
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate (CID 32676711) is ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate?
The InChIKey is ZEUQRFPPKPTYMF-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-3-24-18(21)11-7-14-5-8-15(9-6-14)20-25(22,23)17-10-4-13(2)12-16(17)19/h4-12,20H,3H2,1-2H3/b11-7+.
What are the key properties of ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate has a molecular weight of 379.87 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate is sourced from PubChem (CID 32676711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).