N-ethyl-2-(trifluoromethyl)benzenesulfonamide

C9H10F3NO2S — CID 43212836

IUPACN-ethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-2-13-16(14,15)8-6-4-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyMIYZJAGXTUTXPR-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.00
Rot. Bonds3

About N-ethyl-2-(trifluoromethyl)benzenesulfonamide

N-ethyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 43212836) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID43212836
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN-ethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-2-13-16(14,15)8-6-4-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyMIYZJAGXTUTXPR-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
CID 8716900
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
N-(4-bromo-2,2-dimethylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 106145755
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(trifluoromethyl)benzenesulfonamide (CID 43212836) is N-ethyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(trifluoromethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MIYZJAGXTUTXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-13-16(14,15)8-6-4-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3.
What are the key properties of N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
N-ethyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 253.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43212836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).