4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C13H14FN3O2S — CID 82844779

IUPAC4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C13H14FN3O2S/c14-12-9-11(1-2-13(12)15)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2
InChIKeyLPGNISBDVJFJSM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 82844779) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID82844779
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C13H14FN3O2S/c14-12-9-11(1-2-13(12)15)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2
InChIKeyLPGNISBDVJFJSM-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

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 63288706
3-amino-4-fluoro-5-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 115421303
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 82844779) is 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccncc2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is LPGNISBDVJFJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-12-9-11(1-2-13(12)15)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2.
What are the key properties of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide 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 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 82844779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).