2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide

C14H24FN3O2S — CID 106055804

IUPAC2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NCCN(C)CC
InChIInChI=1S/C14H24FN3O2S/c1-4-16-11-12-6-7-13(15)10-14(12)21(19,20)17-8-9-18(3)5-2/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyWDLUBLCEUSXNKS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.17
Rot. Bonds9

About 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide

2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide (PubChem CID 106055804) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
PubChem CID106055804
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NCCN(C)CC
InChIInChI=1S/C14H24FN3O2S/c1-4-16-11-12-6-7-13(15)10-14(12)21(19,20)17-8-9-18(3)5-2/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyWDLUBLCEUSXNKS-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 106032666
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 119973707
2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 102920813
methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate
CID 75399126
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide (CID 106055804) is 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide is CCNCc1ccc(F)cc1S(=O)(=O)NCCN(C)CC.
What is the InChIKey of 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is WDLUBLCEUSXNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-4-16-11-12-6-7-13(15)10-14(12)21(19,20)17-8-9-18(3)5-2/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide?
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).