ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C19H18F3NO4S — CID 101230074

IUPACethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4S/c1-3-27-18(24)12-17(14-5-4-6-15(11-14)19(20,21)22)23-28(25,26)16-9-7-13(2)8-10-16/h4-12,23H,3H2,1-2H3/b17-12-
InChIKeyRSMXFGJGIAEILA-ATVHPVEESA-N
MW413.42 g/mol
LogP3.90
Rot. Bonds6

About ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 101230074) has the molecular formula C19H18F3NO4S and a molecular weight of 413.42 g/mol. Its IUPAC name is ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID101230074
Molecular FormulaC19H18F3NO4S
Molecular Weight413.42 g/mol
Exact Mass413.09
IUPAC Nameethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4S/c1-3-27-18(24)12-17(14-5-4-6-15(11-14)19(20,21)22)23-28(25,26)16-9-7-13(2)8-10-16/h4-12,23H,3H2,1-2H3/b17-12-
InChIKeyRSMXFGJGIAEILA-ATVHPVEESA-N
XLogP3.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)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-[3-(p-tolylsulfonylamino)phenyl]prop-2-enoate
CID 118712491
ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 101230078
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]azetidin-2-ylidene]acetate
CID 101269459
2-[(1S,2E)-1-(Trifluoromethyl)-3-(3-methylphenyl)-3-(tosylamino)-2-propenyl]malonic acid dimethyl ester
CID 132506679
Ethyl 3-[2-(p-toluenesulfonamido)phenyl]acrylate
CID 122221092
ethyl (Z)-3-(benzenesulfonamido)-3-(4-methylphenyl)prop-2-enoate
CID 165368334
Methyl trans-2-phenylsulfonylamino-5-(trifluoromethyl)cinnamate
CID 15453701
methyl (E)-3-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 23003517
methyl (E)-3-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 23003571
Methyl 3-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 53903586
Methyl 3-[2-(benzenesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 54052352
Methyl 3-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 54424079

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CID 101230074) is ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is CCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is RSMXFGJGIAEILA-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18F3NO4S/c1-3-27-18(24)12-17(14-5-4-6-15(11-14)19(20,21)22)23-28(25,26)16-9-7-13(2)8-10-16/h4-12,23H,3H2,1-2H3/b17-12-.
What are the key properties of ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 413.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 101230074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).