2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

C11H11FN2O5S — CID 63287906

IUPAC2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESN#Cc1cc(S(=O)(=O)NC(CCO)C(=O)O)ccc1F
InChIInChI=1S/C11H11FN2O5S/c12-9-2-1-8(5-7(9)6-13)20(18,19)14-10(3-4-15)11(16)17/h1-2,5,10,14-15H,3-4H2,(H,16,17)
InChIKeyCIVXGKAGBHZMNI-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.19
Rot. Bonds6

About 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 63287906) has the molecular formula C11H11FN2O5S and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID63287906
Molecular FormulaC11H11FN2O5S
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESN#Cc1cc(S(=O)(=O)NC(CCO)C(=O)O)ccc1F
InChIInChI=1S/C11H11FN2O5S/c12-9-2-1-8(5-7(9)6-13)20(18,19)14-10(3-4-15)11(16)17/h1-2,5,10,14-15H,3-4H2,(H,16,17)
InChIKeyCIVXGKAGBHZMNI-UHFFFAOYSA-N
XLogP-0.19
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 63287906) is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is N#Cc1cc(S(=O)(=O)NC(CCO)C(=O)O)ccc1F.
What is the InChIKey of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is CIVXGKAGBHZMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5S/c12-9-2-1-8(5-7(9)6-13)20(18,19)14-10(3-4-15)11(16)17/h1-2,5,10,14-15H,3-4H2,(H,16,17).
What are the key properties of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 302.28 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 63287906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).