3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide

C17H16F3NO4S — CID 10667925

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide
SMILESCc1ccccc1S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4S/c1-11-5-3-4-6-14(11)26(24,25)13-9-7-12(8-10-13)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)
InChIKeyGGWJIYRHWWWLAN-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.08
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide

3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide (PubChem CID 10667925) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide
PubChem CID10667925
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide
SMILESCc1ccccc1S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4S/c1-11-5-3-4-6-14(11)26(24,25)13-9-7-12(8-10-13)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)
InChIKeyGGWJIYRHWWWLAN-UHFFFAOYSA-N
XLogP3.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide (CID 10667925) is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide is Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide?
The InChIKey is GGWJIYRHWWWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-11-5-3-4-6-14(11)26(24,25)13-9-7-12(8-10-13)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide?
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide has a molecular weight of 387.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2-methylphenyl)sulfonylphenyl]propanamide is sourced from PubChem (CID 10667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).