2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide

C9H8F3NO3S — CID 60707701

IUPAC2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyYHLAZUZISPMCPV-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.59
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide

2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 60707701) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
PubChem CID60707701
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyYHLAZUZISPMCPV-UHFFFAOYSA-N
XLogP1.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
2-methyl-2-(2-methylsulfonylanilino)propanamide
CID 61220583
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
2,2,2-trifluoro-N-(2-prop-1-ynylphenyl)acetamide
CID 58838477
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 3641925
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide (CID 60707701) is 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is YHLAZUZISPMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-17(15,16)7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide?
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 267.23 g/mol, XLogP of 1.59, 2 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-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 60707701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).