propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate

C12H14F3NO5S — CID 3689825

IUPACpropan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO5S/c1-8(2)20-11(17)7-16-22(18,19)10-6-4-3-5-9(10)21-12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyRTCYQYILBQNEGM-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.82
Rot. Bonds6

About propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate

propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate (PubChem CID 3689825) has the molecular formula C12H14F3NO5S and a molecular weight of 341.31 g/mol. Its IUPAC name is propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
PubChem CID3689825
Molecular FormulaC12H14F3NO5S
Molecular Weight341.31 g/mol
Exact Mass341.05
IUPAC Namepropan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO5S/c1-8(2)20-11(17)7-16-22(18,19)10-6-4-3-5-9(10)21-12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyRTCYQYILBQNEGM-UHFFFAOYSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate
CID 3852604
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate (CID 3689825) is propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate is CC(C)OC(=O)CNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
The InChIKey is RTCYQYILBQNEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO5S/c1-8(2)20-11(17)7-16-22(18,19)10-6-4-3-5-9(10)21-12(13,14)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate?
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate has a molecular weight of 341.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 3689825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).