(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide

C11H12F3NO3S — CID 143214872

IUPAC(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
SMILESNC(=O)[C@H](O)CCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(18)5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2,(H2,15,17)/t9-,19?/m1/s1
InChIKeyRGPAJZLJPHMEKF-HSLMEMBISA-N
MW295.28 g/mol
LogP1.05
Rot. Bonds5

About (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide

(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide (PubChem CID 143214872) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
PubChem CID143214872
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
SMILESNC(=O)[C@H](O)CCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(18)5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2,(H2,15,17)/t9-,19?/m1/s1
InChIKeyRGPAJZLJPHMEKF-HSLMEMBISA-N
XLogP1.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 69381937
4-[3-(Trifluoromethyl)phenyl]sulfonylbutanamide
CID 90940841
2-[3-(Trifluoromethyl)phenyl]sulfinylacetamide
CID 141176318
1-Amino-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 113317939
(2S)-1-amino-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 114243940
(2R)-1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol
CID 114243948
1-Amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol
CID 115478202
(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide
CID 143214843
2-[3-(Trifluoromethyl)phenyl]sulfonylbutanamide
CID 148550078
2-[3-(Trifluoromethyl)phenyl]sulfonylpentanamide
CID 154120088
2,2-Dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 154256551
2-Hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 68279674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide?
The IUPAC name of (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide (CID 143214872) is (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide.
What is the SMILES notation for (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide?
The canonical SMILES for (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide is NC(=O)[C@H](O)CCS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide?
The InChIKey is RGPAJZLJPHMEKF-HSLMEMBISA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(18)5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2,(H2,15,17)/t9-,19?/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide?
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide has a molecular weight of 295.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide is sourced from PubChem (CID 143214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).