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

C11H11FN2O5S — CID 66172413

IUPAC3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O
InChIInChI=1S/C11H11FN2O5S/c1-11(17,10(15)16)6-14-20(18,19)8-2-3-9(12)7(4-8)5-13/h2-4,14,17H,6H2,1H3,(H,15,16)
InChIKeyGAXAJWJGULIYKK-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.19
Rot. Bonds5

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

3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172413) has the molecular formula C11H11FN2O5S and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172413
Molecular FormulaC11H11FN2O5S
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O
InChIInChI=1S/C11H11FN2O5S/c1-11(17,10(15)16)6-14-20(18,19)8-2-3-9(12)7(4-8)5-13/h2-4,14,17H,6H2,1H3,(H,15,16)
InChIKeyGAXAJWJGULIYKK-UHFFFAOYSA-N
XLogP-0.19
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic 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

3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
3-cyano-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 103835070
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 63288060
3-cyano-4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616452
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 79011250
3-[(3-cyano-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66178066
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 66172413) is 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O.
What is the InChIKey of 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GAXAJWJGULIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5S/c1-11(17,10(15)16)6-14-20(18,19)8-2-3-9(12)7(4-8)5-13/h2-4,14,17H,6H2,1H3,(H,15,16).
What are the key properties of 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 302.28 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).