2-[N-(trifluoromethoxy)anilino]ethanesulfonamide

C9H11F3N2O3S — CID 88514402

IUPAC2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
SMILESNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)17-14(6-7-18(13,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15,16)
InChIKeyIAHLXKMJVIEFOY-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.23
Rot. Bonds5

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

2-[N-(trifluoromethoxy)anilino]ethanesulfonamide (PubChem CID 88514402) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide.

Molecular Properties

Compound Name2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
PubChem CID88514402
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
SMILESNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)17-14(6-7-18(13,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15,16)
InChIKeyIAHLXKMJVIEFOY-UHFFFAOYSA-N
XLogP1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
CID 88514430
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
2-[N-(2-sulfamoylethyl)anilino]acetic acid
CID 114385326
phenyl(trifluoromethoxy)carbamic acid
CID 87790177
2-phenoxyethanesulfonamide
CID 54595861
[N-(trifluoromethylsulfonyloxy)anilino] trifluoromethanesulfonate
CID 10937983
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159794587
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
1-benzyl-1-(trifluoromethoxy)hydrazine
CID 52911263
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513
(N-butylanilino) benzenesulfonate
CID 175125743
2-[N-(trifluoromethoxy)anilino]propanamide
CID 19828057

Frequently Asked Questions

What is the IUPAC name of 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The IUPAC name of 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide (CID 88514402) is 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide.
What is the SMILES notation for 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The canonical SMILES for 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide is NS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
The InChIKey is IAHLXKMJVIEFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)17-14(6-7-18(13,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15,16).
What are the key properties of 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide?
2-[N-(trifluoromethoxy)anilino]ethanesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(trifluoromethoxy)anilino]ethanesulfonamide is sourced from PubChem (CID 88514402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).