4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide

C14H15FN2O2S — CID 82844764

IUPAC4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1F
InChIInChI=1S/C14H15FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyFIUDQFDZYNJPNJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide

4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 82844764) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID82844764
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1F
InChIInChI=1S/C14H15FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyFIUDQFDZYNJPNJ-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 82844764) is 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is FIUDQFDZYNJPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2.
What are the key properties of 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 82844764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).