N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide

C9H9F4NO2S — CID 22773510

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C9H9F4NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyMWMRCHBRDVXERI-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.61
Rot. Bonds3

About N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 22773510) has the molecular formula C9H9F4NO2S and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID22773510
Molecular FormulaC9H9F4NO2S
Molecular Weight271.24 g/mol
Exact Mass271.03
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C9H9F4NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyMWMRCHBRDVXERI-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 63037370
1-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 83086802
N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
CID 155545113
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 22773510) is N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is MWMRCHBRDVXERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 271.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 22773510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).