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

C14H14ClF3N2O5S — CID 2097178

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NC1CC1
InChIInChI=1S/C14H14ClF3N2O5S/c15-10-4-1-8(14(16,17)18)5-11(10)26(23,24)19-6-13(22)25-7-12(21)20-9-2-3-9/h1,4-5,9,19H,2-3,6-7H2,(H,20,21)
InChIKeyKRTZAZNXYSWZFY-UHFFFAOYSA-N
MW414.79 g/mol
LogP1.46
Rot. Bonds7

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

[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (PubChem CID 2097178) has the molecular formula C14H14ClF3N2O5S and a molecular weight of 414.79 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
PubChem CID2097178
Molecular FormulaC14H14ClF3N2O5S
Molecular Weight414.79 g/mol
Exact Mass414.03
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NC1CC1
InChIInChI=1S/C14H14ClF3N2O5S/c15-10-4-1-8(14(16,17)18)5-11(10)26(23,24)19-6-13(22)25-7-12(21)20-9-2-3-9/h1,4-5,9,19H,2-3,6-7H2,(H,20,21)
InChIKeyKRTZAZNXYSWZFY-UHFFFAOYSA-N
XLogP1.46
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate with MolForge

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Related Compounds

[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399394
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 8841202
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (CID 2097178) is [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The InChIKey is KRTZAZNXYSWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O5S/c15-10-4-1-8(14(16,17)18)5-11(10)26(23,24)19-6-13(22)25-7-12(21)20-9-2-3-9/h1,4-5,9,19H,2-3,6-7H2,(H,20,21).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate has a molecular weight of 414.79 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 2097178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).