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

C11H11FN2O5S — CID 104933845

IUPAC(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESN#Cc1cc(S(=O)(=O)N[C@H](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)/t10-/m1/s1
InChIKeyCIVXGKAGBHZMNI-SNVBAGLBSA-N
MW302.28 g/mol
LogP-0.19
Rot. Bonds6

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

(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104933845) has the molecular formula C11H11FN2O5S and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104933845
Molecular FormulaC11H11FN2O5S
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESN#Cc1cc(S(=O)(=O)N[C@H](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)/t10-/m1/s1
InChIKeyCIVXGKAGBHZMNI-SNVBAGLBSA-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

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Related Compounds

2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 63287865
(2R)-4-amino-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 104935170
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 79011250
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 63288060
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
CID 63239306
(2R)-2-[(3-cyano-4-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827489
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104933845) is (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is N#Cc1cc(S(=O)(=O)N[C@H](CCO)C(=O)O)ccc1F.
What is the InChIKey of (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is CIVXGKAGBHZMNI-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-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 (2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104933845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).