ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate

C22H19F2NO5S — CID 25095243

IUPACethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate
SMILESCCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1O
InChIInChI=1S/C22H19F2NO5S/c1-2-30-21(26)12-15-4-3-5-20(22(15)27)25-31(28,29)17-9-6-14(7-10-17)18-11-8-16(23)13-19(18)24/h3-11,13,25,27H,2,12H2,1H3
InChIKeyYZIVYTUUHXNWOX-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate

ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate (PubChem CID 25095243) has the molecular formula C22H19F2NO5S and a molecular weight of 447.46 g/mol. Its IUPAC name is ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate
PubChem CID25095243
Molecular FormulaC22H19F2NO5S
Molecular Weight447.46 g/mol
Exact Mass447.10
IUPAC Nameethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate
SMILESCCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1O
InChIInChI=1S/C22H19F2NO5S/c1-2-30-21(26)12-15-4-3-5-20(22(15)27)25-31(28,29)17-9-6-14(7-10-17)18-11-8-16(23)13-19(18)24/h3-11,13,25,27H,2,12H2,1H3
InChIKeyYZIVYTUUHXNWOX-UHFFFAOYSA-N
XLogP4.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate 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

N-[3-[(1S)-1-amino-2-hydroxyethyl]-2-methylphenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 45138635
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
CID 145477038
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 134479081
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
methyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67328564
ethyl 2-[1-(2,2-dimethylpropanoyl)-7-[(4-methylphenyl)sulfonylamino]indol-3-yl]acetate
CID 132528762
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate?
The IUPAC name of ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate (CID 25095243) is ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate?
The canonical SMILES for ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate is CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1O.
What is the InChIKey of ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate?
The InChIKey is YZIVYTUUHXNWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO5S/c1-2-30-21(26)12-15-4-3-5-20(22(15)27)25-31(28,29)17-9-6-14(7-10-17)18-11-8-16(23)13-19(18)24/h3-11,13,25,27H,2,12H2,1H3.
What are the key properties of ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate?
ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate has a molecular weight of 447.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate is sourced from PubChem (CID 25095243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).