ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate

C17H16FNO5S — CID 140998101

IUPACethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate
SMILESCCOC(=O)C=CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO5S/c1-2-23-17(20)11-12-19-25(21,22)16-9-7-15(8-10-16)24-14-5-3-13(18)4-6-14/h3-12,19H,2H2,1H3
InChIKeyAXVPPAJOSZWEDB-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.97
Rot. Bonds7

About ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate

ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate (PubChem CID 140998101) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate
PubChem CID140998101
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Nameethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate
SMILESCCOC(=O)C=CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO5S/c1-2-23-17(20)11-12-19-25(21,22)16-9-7-15(8-10-16)24-14-5-3-13(18)4-6-14/h3-12,19H,2H2,1H3
InChIKeyAXVPPAJOSZWEDB-UHFFFAOYSA-N
XLogP2.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl (E)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 132507052
ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
ethyl (E)-4-(4-fluoroanilino)but-2-enoate
CID 80546281
ethyl (E)-3-[4-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]phenyl]prop-2-enoate
CID 25352936
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 4-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 3367532
ethyl N-amino-N-[4-[4-[amino(ethoxycarbonyl)sulfamoyl]phenoxy]phenyl]sulfonylcarbamate
CID 54547701
ethyl (E)-4-[1-(4-fluorophenyl)ethylamino]but-2-enoate
CID 80547628
ethyl 5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoate
CID 72747886
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate?
The IUPAC name of ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate (CID 140998101) is ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate.
What is the SMILES notation for ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate?
The canonical SMILES for ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate is CCOC(=O)C=CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate?
The InChIKey is AXVPPAJOSZWEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-2-23-17(20)11-12-19-25(21,22)16-9-7-15(8-10-16)24-14-5-3-13(18)4-6-14/h3-12,19H,2H2,1H3.
What are the key properties of ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate?
ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate has a molecular weight of 365.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate is sourced from PubChem (CID 140998101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).