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

C11H11ClF3NO4S — CID 3861490

IUPACethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO4S/c1-2-20-10(17)6-16-21(18,19)9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,2,6H2,1H3
InChIKeyOATLZQYRGLOJQO-UHFFFAOYSA-N
MW345.73 g/mol
LogP2.20
Rot. Bonds5

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

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (PubChem CID 3861490) has the molecular formula C11H11ClF3NO4S and a molecular weight of 345.73 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
PubChem CID3861490
Molecular FormulaC11H11ClF3NO4S
Molecular Weight345.73 g/mol
Exact Mass345.00
IUPAC Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO4S/c1-2-20-10(17)6-16-21(18,19)9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,2,6H2,1H3
InChIKeyOATLZQYRGLOJQO-UHFFFAOYSA-N
XLogP2.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399394
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55502691
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (CID 3861490) is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The InChIKey is OATLZQYRGLOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO4S/c1-2-20-10(17)6-16-21(18,19)9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,2,6H2,1H3.
What are the key properties of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate has a molecular weight of 345.73 g/mol, XLogP of 2.20, 5 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]acetate is sourced from PubChem (CID 3861490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).