N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide

C14H23FN2O3S — CID 106020014

IUPACN-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(=O)(=O)NCCOCC
InChIInChI=1S/C14H23FN2O3S/c1-3-7-16-11-12-5-6-13(15)10-14(12)21(18,19)17-8-9-20-4-2/h5-6,10,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyVOTWWHGLEZLDOE-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.64
Rot. Bonds10

About N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide

N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide (PubChem CID 106020014) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
PubChem CID106020014
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(=O)(=O)NCCOCC
InChIInChI=1S/C14H23FN2O3S/c1-3-7-16-11-12-5-6-13(15)10-14(12)21(18,19)17-8-9-20-4-2/h5-6,10,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyVOTWWHGLEZLDOE-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921001
N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
CID 43590720
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43591361
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide (CID 106020014) is N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(F)cc1S(=O)(=O)NCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The InChIKey is VOTWWHGLEZLDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-3-7-16-11-12-5-6-13(15)10-14(12)21(18,19)17-8-9-20-4-2/h5-6,10,16-17H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106020014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).