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

C18H18FNO4S — CID 101230078

IUPACethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c1-3-24-18(21)12-17(14-6-8-15(19)9-7-14)20-25(22,23)16-10-4-13(2)5-11-16/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyMPGZSXOSCUQHDK-ATVHPVEESA-N
MW363.41 g/mol
LogP3.02
Rot. Bonds6

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

ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (PubChem CID 101230078) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
PubChem CID101230078
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Nameethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c1-3-24-18(21)12-17(14-6-8-15(19)9-7-14)20-25(22,23)16-10-4-13(2)5-11-16/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyMPGZSXOSCUQHDK-ATVHPVEESA-N
XLogP3.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.02
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

methyl (E)-3-[5-fluoro-2-(phenylsulfamoyl)phenyl]prop-2-enoate
CID 25011437
ethyl (E)-3-[3-(p-tolylsulfonylamino)phenyl]prop-2-enoate
CID 118712491
ethyl (2E)-2-[4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylazetidin-2-ylidene]acetate
CID 11222989
ethyl (Z)-3-[(4-methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 101230074
ethyl (2E)-2-[4-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylazetidin-2-ylidene]acetate
CID 101269455
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-4-phenylazetidin-2-ylidene]acetate
CID 101269451
(E)-Ethyl 3-(3-(N-phenylsulfamoyl)phenyl)acrylate
CID 53487508
Ethyl 3-[2-(p-toluenesulfonamido)phenyl]acrylate
CID 122221092
ethyl (Z)-3-(benzenesulfonamido)-3-(4-methylphenyl)prop-2-enoate
CID 165368334
methyl (E)-3-[2-(benzenesulfonamido)-5-fluorophenyl]prop-2-enoate
CID 23003214
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

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (CID 101230078) is ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is CCOC(=O)/C=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The InChIKey is MPGZSXOSCUQHDK-ATVHPVEESA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-3-24-18(21)12-17(14-6-8-15(19)9-7-14)20-25(22,23)16-10-4-13(2)5-11-16/h4-12,20H,3H2,1-2H3/b17-12-.
What are the key properties of ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
ethyl (Z)-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate has a molecular weight of 363.41 g/mol, XLogP of 3.02, 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-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is sourced from PubChem (CID 101230078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).