2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid

C10H11BrFNO4S — CID 116527334

IUPAC2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)cc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO4S/c1-10(2,9(14)15)13-18(16,17)8-4-3-6(11)5-7(8)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyGIWMSCJEJDZZOX-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.73
Rot. Bonds4

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

2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 116527334) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID116527334
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)cc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO4S/c1-10(2,9(14)15)13-18(16,17)8-4-3-6(11)5-7(8)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyGIWMSCJEJDZZOX-UHFFFAOYSA-N
XLogP1.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 116527308
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-methylpropanoic acid
CID 71246717
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-2-fluoro-1-(trifluoromethylsulfonyl)benzene
CID 86725083
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid (CID 116527334) is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid is CC(C)(NS(=O)(=O)c1ccc(Br)cc1F)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is GIWMSCJEJDZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-10(2,9(14)15)13-18(16,17)8-4-3-6(11)5-7(8)12/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 340.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 116527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).