3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide

C13H21FN2O2S — CID 106049134

IUPAC3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-2-15-9-3-11-19(17,18)16-10-8-12-4-6-13(14)7-5-12/h4-7,15-16H,2-3,8-11H2,1H3
InChIKeyMJWAFHPQPCZIKH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.29
Rot. Bonds9

About 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 106049134) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID106049134
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-2-15-9-3-11-19(17,18)16-10-8-12-4-6-13(14)7-5-12/h4-7,15-16H,2-3,8-11H2,1H3
InChIKeyMJWAFHPQPCZIKH-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-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-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067647
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide (CID 106049134) is 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is MJWAFHPQPCZIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-2-15-9-3-11-19(17,18)16-10-8-12-4-6-13(14)7-5-12/h4-7,15-16H,2-3,8-11H2,1H3.
What are the key properties of 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106049134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).