ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate

C16H14F3NO4S — CID 5088845

IUPACethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c1-2-24-15(21)11-6-5-7-12(10-11)20-25(22,23)14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyPWPGTKYPFTYFLR-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.68
Rot. Bonds5

About ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate

ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate (PubChem CID 5088845) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
PubChem CID5088845
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Nameethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c1-2-24-15(21)11-6-5-7-12(10-11)20-25(22,23)14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyPWPGTKYPFTYFLR-UHFFFAOYSA-N
XLogP3.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate 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 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
ethyl 3-[[2-fluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 142738796
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
ethyl 3-[3-(trifluoromethylsulfonylamino)phenyl]benzoate
CID 86596855
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate (CID 5088845) is ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The InChIKey is PWPGTKYPFTYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-2-24-15(21)11-6-5-7-12(10-11)20-25(22,23)14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,2H2,1H3.
What are the key properties of ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate has a molecular weight of 373.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 5088845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).