2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide

C14H15FN2O2S — CID 60985914

IUPAC2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C14H15FN2O2S/c15-12-6-7-13(16)14(10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyAAFKSHPCPIHTME-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide

2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 60985914) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID60985914
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C14H15FN2O2S/c15-12-6-7-13(16)14(10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyAAFKSHPCPIHTME-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

2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 61113825
2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
CID 62605153
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
2-amino-N-[(3-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 61400854
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 60985914) is 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is AAFKSHPCPIHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-12-6-7-13(16)14(10-12)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 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide?
2-amino-5-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 2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 60985914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).