2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide

C17H16F3NO4S — CID 52941329

IUPAC2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2CC(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO4S/c1-16(23,17(18,19)20)12-6-8-13(9-7-12)26(24,25)14-5-3-2-4-11(14)10-15(21)22/h2-9,23H,10H2,1H3,(H2,21,22)
InChIKeyYVBOUXSVKPCZRJ-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide

2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide (PubChem CID 52941329) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide
PubChem CID52941329
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2CC(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO4S/c1-16(23,17(18,19)20)12-6-8-13(9-7-12)26(24,25)14-5-3-2-4-11(14)10-15(21)22/h2-9,23H,10H2,1H3,(H2,21,22)
InChIKeyYVBOUXSVKPCZRJ-UHFFFAOYSA-N
XLogP2.32
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide?
The IUPAC name of 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide (CID 52941329) is 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide is CC(O)(c1ccc(S(=O)(=O)c2ccccc2CC(N)=O)cc1)C(F)(F)F.
What is the InChIKey of 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide?
The InChIKey is YVBOUXSVKPCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-16(23,17(18,19)20)12-6-8-13(9-7-12)26(24,25)14-5-3-2-4-11(14)10-15(21)22/h2-9,23H,10H2,1H3,(H2,21,22).
What are the key properties of 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide?
2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide has a molecular weight of 387.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 52941329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).