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

C10H11BrFNO4S — CID 104935577

IUPAC(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)O
InChIInChI=1S/C10H11BrFNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyIYVHUKOEDPULHP-VIFPVBQESA-N
MW340.17 g/mol
LogP1.73
Rot. Bonds5

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

(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid (PubChem CID 104935577) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
PubChem CID104935577
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Name(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)O
InChIInChI=1S/C10H11BrFNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyIYVHUKOEDPULHP-VIFPVBQESA-N
XLogP1.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic 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)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
CID 54881567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid (CID 104935577) is (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid is CC[C@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid?
The InChIKey is IYVHUKOEDPULHP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid?
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid has a molecular weight of 340.17 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104935577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).