2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide

C10H10F3NO3S — CID 62728038

IUPAC2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO3S/c1-18(16,17)8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRKUDBCSUTOFPBW-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.27
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide (PubChem CID 62728038) has the molecular formula C10H10F3NO3S and a molecular weight of 281.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
PubChem CID62728038
Molecular FormulaC10H10F3NO3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC Name2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO3S/c1-18(16,17)8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRKUDBCSUTOFPBW-UHFFFAOYSA-N
XLogP1.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
2-chloro-2,2-difluoro-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 91661460
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420374
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide (CID 62728038) is 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide is CS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is RKUDBCSUTOFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-18(16,17)8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 281.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 62728038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).