2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide

C13H21FN2O3S — CID 102921100

IUPAC2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C13H21FN2O3S/c1-4-15-9-11-5-6-12(14)7-13(11)20(17,18)16-8-10(2)19-3/h5-7,10,15-16H,4,8-9H2,1-3H3
InChIKeyXTIMSDMEQZWTHG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds8

About 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide

2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102921100) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102921100
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C13H21FN2O3S/c1-4-15-9-11-5-6-12(14)7-13(11)20(17,18)16-8-10(2)19-3/h5-7,10,15-16H,4,8-9H2,1-3H3
InChIKeyXTIMSDMEQZWTHG-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide 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

5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide (CID 102921100) is 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide is CCNCc1ccc(F)cc1S(=O)(=O)NCC(C)OC.
What is the InChIKey of 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is XTIMSDMEQZWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-4-15-9-11-5-6-12(14)7-13(11)20(17,18)16-8-10(2)19-3/h5-7,10,15-16H,4,8-9H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).