2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide

C11H12F3NO5S — CID 69381937

IUPAC2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESNC(=O)C(O)C(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO5S/c12-11(13,14)6-2-1-3-7(4-6)21(19,20)5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18)
InChIKeyUBTFHOUFZHEURR-UHFFFAOYSA-N
MW327.28 g/mol
LogP-0.31
Rot. Bonds5

About 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide

2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 69381937) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID69381937
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESNC(=O)C(O)C(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO5S/c12-11(13,14)6-2-1-3-7(4-6)21(19,20)5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18)
InChIKeyUBTFHOUFZHEURR-UHFFFAOYSA-N
XLogP-0.31
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 69381937) is 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is NC(=O)C(O)C(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is UBTFHOUFZHEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c12-11(13,14)6-2-1-3-7(4-6)21(19,20)5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18).
What are the key properties of 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 327.28 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 69381937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).