N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide

C11H15F3N2O2S — CID 103793026

IUPACN-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15-16H,2-4,7H2,1H3
InChIKeyGDGDRARCONRNCX-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.13
Rot. Bonds7

About N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide

N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide (PubChem CID 103793026) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
PubChem CID103793026
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15-16H,2-4,7H2,1H3
InChIKeyGDGDRARCONRNCX-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
CID 106334922
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
CID 103739342
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
methyl 2-[[2-(ethylsulfamoyl)ethylamino]methyl]benzoate
CID 103922739
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
3-[(2,4,5-trifluorophenyl)methylamino]propanoic acid
CID 18618366
2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
CID 114174884
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792850
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106335878
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334703
N-[(5-bromo-2-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide (CID 103793026) is N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide is CCNS(=O)(=O)CCNCc1cc(F)c(F)cc1F.
What is the InChIKey of N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The InChIKey is GDGDRARCONRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15-16H,2-4,7H2,1H3.
What are the key properties of N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 103793026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).