2-[(4-fluorophenyl)sulfonylamino]acetate

C8H7FNO4S- — CID 3258763

IUPAC2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChIKeyXAEAUZAGDOXYIE-UHFFFAOYSA-M
MW232.21 g/mol
LogP-1.15
Rot. Bonds4

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

2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 3258763) has the molecular formula C8H7FNO4S- and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID3258763
Molecular FormulaC8H7FNO4S-
Molecular Weight232.21 g/mol
Exact Mass232.01
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChIKeyXAEAUZAGDOXYIE-UHFFFAOYSA-M
XLogP-1.15
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 22713394
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 3258763) is 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C([O-])CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is XAEAUZAGDOXYIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]acetate?
2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 232.21 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 3258763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).