N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide

C11H15F3N2O3S — CID 88514430

IUPACN-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H15F3N2O3S/c1-2-15-20(17,18)9-8-16(19-11(12,13)14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyGBCWNCPGGWAIQF-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide

N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide (PubChem CID 88514430) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
PubChem CID88514430
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC NameN-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H15F3N2O3S/c1-2-15-20(17,18)9-8-16(19-11(12,13)14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyGBCWNCPGGWAIQF-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
CID 88514402
N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
CID 106334344
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
(N-butylanilino) benzenesulfonate
CID 175125743
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
CID 10498785
N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline
CID 141002088
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide (CID 88514430) is N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide is CCNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The InChIKey is GBCWNCPGGWAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-2-15-20(17,18)9-8-16(19-11(12,13)14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3.
What are the key properties of N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide is sourced from PubChem (CID 88514430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).