N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide

C14H15FN2O2S — CID 43297947

IUPACN-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccc(N)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10(11-5-7-13(16)8-6-11)17-20(18,19)14-4-2-3-12(15)9-14/h2-10,17H,16H2,1H3
InChIKeyMTJYHDLRNDBEEI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide

N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 43297947) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID43297947
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccc(N)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10(11-5-7-13(16)8-6-11)17-20(18,19)14-4-2-3-12(15)9-14/h2-10,17H,16H2,1H3
InChIKeyMTJYHDLRNDBEEI-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.45
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

3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 116650244
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide (CID 43297947) is N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is MTJYHDLRNDBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10(11-5-7-13(16)8-6-11)17-20(18,19)14-4-2-3-12(15)9-14/h2-10,17H,16H2,1H3.
What are the key properties of N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide?
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43297947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).