3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid

C9H9BrFNO5S — CID 66165035

IUPAC3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO5S/c10-6-3-5(11)1-2-8(6)18(16,17)12-4-7(13)9(14)15/h1-3,7,12-13H,4H2,(H,14,15)
InChIKeyUZVGFFRQJOPEBL-UHFFFAOYSA-N
MW342.14 g/mol
LogP0.31
Rot. Bonds5

About 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid

3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 66165035) has the molecular formula C9H9BrFNO5S and a molecular weight of 342.14 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID66165035
Molecular FormulaC9H9BrFNO5S
Molecular Weight342.14 g/mol
Exact Mass340.94
IUPAC Name3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO5S/c10-6-3-5(11)1-2-8(6)18(16,17)12-4-7(13)9(14)15/h1-3,7,12-13H,4H2,(H,14,15)
InChIKeyUZVGFFRQJOPEBL-UHFFFAOYSA-N
XLogP0.31
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid 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

(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
(2S)-3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935846
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 66165035) is 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid is O=C(O)C(O)CNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is UZVGFFRQJOPEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO5S/c10-6-3-5(11)1-2-8(6)18(16,17)12-4-7(13)9(14)15/h1-3,7,12-13H,4H2,(H,14,15).
What are the key properties of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 342.14 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).