(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid

C11H15NO5S — CID 104934956

IUPAC(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyAZIVQMLOJLQFSZ-JTQLQIEISA-N
MW273.31 g/mol
LogP-0.06
Rot. Bonds7

About (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid

(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid (PubChem CID 104934956) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
PubChem CID104934956
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyAZIVQMLOJLQFSZ-JTQLQIEISA-N
XLogP-0.06
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61243869
2-[(2-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61244813
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
CID 159933246
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 29266416
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
N-[(2S,8S)-8-(benzylsulfonylamino)-4,6-difluoro-3,5,7-trioxo-1,9-diphenylnonan-2-yl]-1-phenylmethanesulfonamide
CID 171616798
2-(2-phenylethylsulfonylamino)pentanedioic acid
CID 60830006
N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide
CID 10391222
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid (CID 104934956) is (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid?
The InChIKey is AZIVQMLOJLQFSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid?
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid has a molecular weight of 273.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 104934956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).