3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C13H15FN2O3S — CID 61125482

IUPAC3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)c(N)c2)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-11(14)12(15)7-10/h3-7,9,16H,15H2,1-2H3
InChIKeyRYEIHPDQFKWSDA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 61125482) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID61125482
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)c(N)c2)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-11(14)12(15)7-10/h3-7,9,16H,15H2,1-2H3
InChIKeyRYEIHPDQFKWSDA-UHFFFAOYSA-N
XLogP2.35
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 2056585
3-amino-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 2947746
2-amino-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 16788138
N-(furan-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 2886492
3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
CID 4300352
2-fluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
CID 4793604
2,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
CID 3476723
3-[(4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 8191301
3-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 8191302
4-fluoro-N-(furan-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 8403098
2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817459
2-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817465

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 61125482) is 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(F)c(N)c2)o1.
What is the InChIKey of 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is RYEIHPDQFKWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-8-3-6-13(19-8)9(2)16-20(17,18)10-4-5-11(14)12(15)7-10/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).