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

C11H15F3N2O2S — CID 106334922

IUPACN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15H,3-4,7H2,1-2H3
InChIKeyXZUUTHAGPKNGGC-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.08
Rot. Bonds6

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

N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide (PubChem CID 106334922) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
PubChem CID106334922
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15H,3-4,7H2,1-2H3
InChIKeyXZUUTHAGPKNGGC-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
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-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
CID 103793026
N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
CID 106335145
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792850
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
2-[(4-bromo-2-nitrophenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335284
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
3-[(2,4,5-trifluorophenyl)methylamino]propanoic acid
CID 18618366
2-[(4-tert-butylphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335316
2-[(6,8-dimethyl-2-oxochromen-4-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 50955316
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 114175013
2-[[4-(methoxymethyl)phenyl]methylamino]-N,N-dimethylethanesulfonamide
CID 106335084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide (CID 106334922) is N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide is CN(C)S(=O)(=O)CCNCc1cc(F)c(F)cc1F.
What is the InChIKey of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
The InChIKey is XZUUTHAGPKNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)4-3-15-7-8-5-10(13)11(14)6-9(8)12/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide?
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106334922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).