1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide

C11H15F3N2O2S — CID 106058008

IUPAC1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O2S/c1-3-15-6-7(2)19(17,18)16-9-5-4-8(12)10(13)11(9)14/h4-5,7,15-16H,3,6H2,1-2H3
InChIKeyNUBRRHSWALOPSD-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.84
Rot. Bonds6

About 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide

1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide (PubChem CID 106058008) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
PubChem CID106058008
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O2S/c1-3-15-6-7(2)19(17,18)16-9-5-4-8(12)10(13)11(9)14/h4-5,7,15-16H,3,6H2,1-2H3
InChIKeyNUBRRHSWALOPSD-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide 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

N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
CID 87087736
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
CID 106072908
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081845
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055
N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106059583

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide (CID 106058008) is 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide?
The InChIKey is NUBRRHSWALOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-3-15-6-7(2)19(17,18)16-9-5-4-8(12)10(13)11(9)14/h4-5,7,15-16H,3,6H2,1-2H3.
What are the key properties of 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide?
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106058008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).