2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate

C8H5BrF2NO4S- — CID 2443161

IUPAC2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H6BrF2NO4S/c9-5-1-4(10)2-6(11)8(5)17(15,16)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)/p-1
InChIKeyZQCWRKUFGZPDDN-UHFFFAOYSA-M
MW329.10 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate (PubChem CID 2443161) has the molecular formula C8H5BrF2NO4S- and a molecular weight of 329.10 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
PubChem CID2443161
Molecular FormulaC8H5BrF2NO4S-
Molecular Weight329.10 g/mol
Exact Mass327.91
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H6BrF2NO4S/c9-5-1-4(10)2-6(11)8(5)17(15,16)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)/p-1
InChIKeyZQCWRKUFGZPDDN-UHFFFAOYSA-M
XLogP-0.24
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-bromo-4,6-difluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate (CID 2443161) is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate is O=C([O-])CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The InChIKey is ZQCWRKUFGZPDDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6BrF2NO4S/c9-5-1-4(10)2-6(11)8(5)17(15,16)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)/p-1.
What are the key properties of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate has a molecular weight of 329.10 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2443161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).