N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide

C9H8F3NO3S — CID 20558182

IUPACN,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(F)(F)C(=O)NF)cc1
InChIInChI=1S/C9H8F3NO3S/c1-6-2-4-7(5-3-6)17(15,16)9(10,11)8(14)13-12/h2-5H,1H3,(H,13,14)
InChIKeyPUJWUTRWOUYXFS-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.36
Rot. Bonds3

About N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide

N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 20558182) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide
PubChem CID20558182
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC NameN,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(F)(F)C(=O)NF)cc1
InChIInChI=1S/C9H8F3NO3S/c1-6-2-4-7(5-3-6)17(15,16)9(10,11)8(14)13-12/h2-5H,1H3,(H,13,14)
InChIKeyPUJWUTRWOUYXFS-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide (CID 20558182) is N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)C(F)(F)C(=O)NF)cc1.
What is the InChIKey of N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is PUJWUTRWOUYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-6-2-4-7(5-3-6)17(15,16)9(10,11)8(14)13-12/h2-5H,1H3,(H,13,14).
What are the key properties of N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide?
N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 267.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 20558182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).