5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C13H15FN2O3S — CID 28718585

IUPAC5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNCCc1ccc(F)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H15FN2O3S/c14-12-4-3-10(5-6-15)8-13(12)20(17,18)16-9-11-2-1-7-19-11/h1-4,7-8,16H,5-6,9,15H2
InChIKeyVGRQARNEXGEJTG-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.40
Rot. Bonds6

About 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 28718585) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID28718585
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNCCc1ccc(F)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H15FN2O3S/c14-12-4-3-10(5-6-15)8-13(12)20(17,18)16-9-11-2-1-7-19-11/h1-4,7-8,16H,5-6,9,15H2
InChIKeyVGRQARNEXGEJTG-UHFFFAOYSA-N
XLogP1.40
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
2-fluoro-N-(furan-2-ylmethyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 116528903
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363027

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 28718585) is 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is NCCc1ccc(F)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is VGRQARNEXGEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-12-4-3-10(5-6-15)8-13(12)20(17,18)16-9-11-2-1-7-19-11/h1-4,7-8,16H,5-6,9,15H2.
What are the key properties of 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 28718585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).