(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid

C11H13ClFNO5S — CID 166242064

IUPAC(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClFNO5S/c1-6(15)10(11(16)17)14-20(18,19)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14-15H,5H2,1H3,(H,16,17)/t6-,10+/m0/s1
InChIKeyBZLXFFAYZFTGBF-QUBYGPBYSA-N
MW325.75 g/mol
LogP0.73
Rot. Bonds6

About (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid

(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid (PubChem CID 166242064) has the molecular formula C11H13ClFNO5S and a molecular weight of 325.75 g/mol. Its IUPAC name is (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
PubChem CID166242064
Molecular FormulaC11H13ClFNO5S
Molecular Weight325.75 g/mol
Exact Mass325.02
IUPAC Name(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13ClFNO5S/c1-6(15)10(11(16)17)14-20(18,19)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14-15H,5H2,1H3,(H,16,17)/t6-,10+/m0/s1
InChIKeyBZLXFFAYZFTGBF-QUBYGPBYSA-N
XLogP0.73
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2S,3S)-2-[(2-cyano-4-fluorophenyl)methylsulfonylamino]-3-methylpentanoic acid
CID 122069883
(2S,3S)-2-[(2,6-dimethylphenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 167770386
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 102615124
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 100780240
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid (CID 166242064) is (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid is C[C@H](O)[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is BZLXFFAYZFTGBF-QUBYGPBYSA-N. The full InChI is InChI=1S/C11H13ClFNO5S/c1-6(15)10(11(16)17)14-20(18,19)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14-15H,5H2,1H3,(H,16,17)/t6-,10+/m0/s1.
What are the key properties of (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid?
(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 325.75 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 166242064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).