2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

C13H14FN3O2S — CID 62163350

IUPAC2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)7-9-17-20(18,19)12-2-1-8-16-13(12)15/h1-6,8,17H,7,9H2,(H2,15,16)
InChIKeyPDXLTVYELVLREG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 62163350) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID62163350
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)7-9-17-20(18,19)12-2-1-8-16-13(12)15/h1-6,8,17H,7,9H2,(H2,15,16)
InChIKeyPDXLTVYELVLREG-UHFFFAOYSA-N
XLogP1.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63962498
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
CID 62641127
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 62163350) is 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is PDXLTVYELVLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)7-9-17-20(18,19)12-2-1-8-16-13(12)15/h1-6,8,17H,7,9H2,(H2,15,16).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62163350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).