ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate

C13H15ClF3NO4S — CID 78902028

IUPACethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H15ClF3NO4S/c1-3-18(8-12(19)22-4-2)23(20,21)11-7-9(13(15,16)17)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyOUSUGISXQDJMJL-UHFFFAOYSA-N
MW373.78 g/mol
LogP2.93
Rot. Bonds6

About ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate (PubChem CID 78902028) has the molecular formula C13H15ClF3NO4S and a molecular weight of 373.78 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
PubChem CID78902028
Molecular FormulaC13H15ClF3NO4S
Molecular Weight373.78 g/mol
Exact Mass373.04
IUPAC Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H15ClF3NO4S/c1-3-18(8-12(19)22-4-2)23(20,21)11-7-9(13(15,16)17)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyOUSUGISXQDJMJL-UHFFFAOYSA-N
XLogP2.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]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

2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
ethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]acetate
CID 61012131
ethyl 3-(N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methoxyanilino)propanoate
CID 5013124
ethyl 2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-propylamino]acetate
CID 47059378
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
ethyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetate
CID 55854831
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 66184263
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate (CID 78902028) is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate?
The InChIKey is OUSUGISXQDJMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO4S/c1-3-18(8-12(19)22-4-2)23(20,21)11-7-9(13(15,16)17)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate?
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate has a molecular weight of 373.78 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate is sourced from PubChem (CID 78902028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).