N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide

C10H12F3NO2S — CID 60705439

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c1-3-17(15,16)14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6,14H,3H2,1-2H3
InChIKeyGGOZLTFRWGRPAK-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.78
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide

N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 60705439) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID60705439
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c1-3-17(15,16)14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6,14H,3H2,1-2H3
InChIKeyGGOZLTFRWGRPAK-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
N-(4-iodo-3-methylphenyl)ethanesulfonamide
CID 57319537
ethyl 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61456594
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65483984
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52544449
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 60705439) is N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is GGOZLTFRWGRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-3-17(15,16)14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6,14H,3H2,1-2H3.
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 60705439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).