3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

C10H11BrFNO5S — CID 122071383

IUPAC3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1cc(Br)ccc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyMJXCTOQXIPSZNZ-UHFFFAOYSA-N
MW356.17 g/mol
LogP0.70
Rot. Bonds5

About 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122071383) has the molecular formula C10H11BrFNO5S and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122071383
Molecular FormulaC10H11BrFNO5S
Molecular Weight356.17 g/mol
Exact Mass354.95
IUPAC Name3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1cc(Br)ccc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyMJXCTOQXIPSZNZ-UHFFFAOYSA-N
XLogP0.70
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071549
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
CID 60609518
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172413
3-[(3-bromo-5-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071519
3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071461
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
3-[(2-bromo-3-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071531
3-[[2-fluoro-4-(propylsulfonylamino)phenyl]sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071621

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 122071383) is 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNS(=O)(=O)c1cc(Br)ccc1F)C(=O)O.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MJXCTOQXIPSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 356.17 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122071383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).