ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate

C18H17ClF3NO4S — CID 3406154

IUPACethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H17ClF3NO4S/c1-2-27-17(24)15(10-12-6-4-3-5-7-12)23-28(25,26)16-11-13(18(20,21)22)8-9-14(16)19/h3-9,11,15,23H,2,10H2,1H3
InChIKeyZDGGNPFVOUXJPP-UHFFFAOYSA-N
MW435.85 g/mol
LogP3.81
Rot. Bonds7

About ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate (PubChem CID 3406154) has the molecular formula C18H17ClF3NO4S and a molecular weight of 435.85 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
PubChem CID3406154
Molecular FormulaC18H17ClF3NO4S
Molecular Weight435.85 g/mol
Exact Mass435.05
IUPAC Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H17ClF3NO4S/c1-2-27-17(24)15(10-12-6-4-3-5-7-12)23-28(25,26)16-11-13(18(20,21)22)8-9-14(16)19/h3-9,11,15,23H,2,10H2,1H3
InChIKeyZDGGNPFVOUXJPP-UHFFFAOYSA-N
XLogP3.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate 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 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3856640
ethyl 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3287288
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 94860823
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate (CID 3406154) is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate?
The InChIKey is ZDGGNPFVOUXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO4S/c1-2-27-17(24)15(10-12-6-4-3-5-7-12)23-28(25,26)16-11-13(18(20,21)22)8-9-14(16)19/h3-9,11,15,23H,2,10H2,1H3.
What are the key properties of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate?
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate has a molecular weight of 435.85 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 3406154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).