tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate

C12H16FNO4S — CID 22713394

IUPACtert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4S/c1-12(2,3)18-11(15)8-14-19(16,17)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeySSTJRYXDQFRAMY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate

tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 22713394) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID22713394
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Nametert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4S/c1-12(2,3)18-11(15)8-14-19(16,17)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeySSTJRYXDQFRAMY-UHFFFAOYSA-N
XLogP1.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(4-fluorophenyl)sulfonylamino]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

tert-butyl 2-[(4-aminophenyl)sulfonylamino]acetate
CID 22456387
tert-butyl 2-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]acetate
CID 22456229
tert-butyl 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylamino]acetate
CID 20769580
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
tert-butyl 2-[(2,3,4,5-tetrafluorophenyl)sulfonylamino]acetate
CID 162751609
tert-butyl 2-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]acetate
CID 72711054
tert-butyl 2-[[4-(cyclohexanecarbonylamino)phenyl]sulfonylamino]acetate
CID 22456406
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
tert-butyl 2-[[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylamino]acetate
CID 67589903
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
tert-butyl 2-[[4-[(2-phenylmethoxybenzoyl)amino]phenyl]sulfonylamino]acetate
CID 22456308
[2-(butylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954138

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 22713394) is tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate is CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is SSTJRYXDQFRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-12(2,3)18-11(15)8-14-19(16,17)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3.
What are the key properties of tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 22713394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).