(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid

C11H12F3NO5S — CID 28828701

IUPAC(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-6(16)9(10(17)18)15-21(19,20)8-5-3-2-4-7(8)11(12,13)14/h2-6,9,15-16H,1H3,(H,17,18)/t6-,9+/m1/s1
InChIKeyMVDDHOKTOGCXRG-MUWHJKNJSA-N
MW327.28 g/mol
LogP0.82
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid

(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (PubChem CID 28828701) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
PubChem CID28828701
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-6(16)9(10(17)18)15-21(19,20)8-5-3-2-4-7(8)11(12,13)14/h2-6,9,15-16H,1H3,(H,17,18)/t6-,9+/m1/s1
InChIKeyMVDDHOKTOGCXRG-MUWHJKNJSA-N
XLogP0.82
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
3-hydroxy-2-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 167825235
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
(2S,3R)-3-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 102251134
(2S)-N-[1-(4-sulfamoylphenyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936658

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (CID 28828701) is (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid?
The InChIKey is MVDDHOKTOGCXRG-MUWHJKNJSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c1-6(16)9(10(17)18)15-21(19,20)8-5-3-2-4-7(8)11(12,13)14/h2-6,9,15-16H,1H3,(H,17,18)/t6-,9+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid has a molecular weight of 327.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid is sourced from PubChem (CID 28828701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).