N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide

C10H10F3NO3S — CID 22464534

IUPACN,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccccc1CC(F)(F)C(=O)NF
InChIInChI=1S/C10H10F3NO3S/c1-18(16,17)8-5-3-2-4-7(8)6-10(11,12)9(15)14-13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUKAOREMKEASUEQ-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.27
Rot. Bonds4

About N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide

N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide (PubChem CID 22464534) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide
PubChem CID22464534
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC NameN,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccccc1CC(F)(F)C(=O)NF
InChIInChI=1S/C10H10F3NO3S/c1-18(16,17)8-5-3-2-4-7(8)6-10(11,12)9(15)14-13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUKAOREMKEASUEQ-UHFFFAOYSA-N
XLogP1.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide?
The IUPAC name of N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide (CID 22464534) is N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide?
The canonical SMILES for N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccccc1CC(F)(F)C(=O)NF.
What is the InChIKey of N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide?
The InChIKey is UKAOREMKEASUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-18(16,17)8-5-3-2-4-7(8)6-10(11,12)9(15)14-13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide?
N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide has a molecular weight of 281.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 22464534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).