N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide

C10H10F3NO3S — CID 825465

IUPACN-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C
InChIInChI=1S/C10H10F3NO3S/c1-6-3-4-8(5-9(6)14-7(2)15)18(16,17)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyNHPLIQPERVVQHK-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.25
Rot. Bonds2

About N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide

N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide (PubChem CID 825465) has the molecular formula C10H10F3NO3S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
PubChem CID825465
Molecular FormulaC10H10F3NO3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC NameN-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C
InChIInChI=1S/C10H10F3NO3S/c1-6-3-4-8(5-9(6)14-7(2)15)18(16,17)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyNHPLIQPERVVQHK-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide
CID 163046685
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-3,4-dimethylbenzamide
CID 60617975
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
CID 20680888
4-(3-acetamido-4-methylphenyl)sulfonyl-3-hydroxybutanoic acid
CID 174928179
CID 164856832
CID 164856832
ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate
CID 163634395
2-[2-chloro-5-(trifluoromethylsulfonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608491
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119962620
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide (CID 825465) is N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C.
What is the InChIKey of N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is NHPLIQPERVVQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-6-3-4-8(5-9(6)14-7(2)15)18(16,17)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide?
N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 281.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 825465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).