2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H12FNO5S — CID 61243516

IUPAC2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H12FNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15)
InChIKeyXBTKXGXELTVLTJ-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61243516) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61243516
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H12FNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15)
InChIKeyXBTKXGXELTVLTJ-UHFFFAOYSA-N
XLogP-0.06
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61243516) is 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is XBTKXGXELTVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 277.27 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).