2-amino-N-benzyl-3-fluorobenzenesulfonamide

C13H13FN2O2S — CID 62058430

IUPAC2-amino-N-benzyl-3-fluorobenzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H13FN2O2S/c14-11-7-4-8-12(13(11)15)19(17,18)16-9-10-5-2-1-3-6-10/h1-8,16H,9,15H2
InChIKeySADKCGCFOJYBBE-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-N-benzyl-3-fluorobenzenesulfonamide

2-amino-N-benzyl-3-fluorobenzenesulfonamide (PubChem CID 62058430) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-amino-N-benzyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-benzyl-3-fluorobenzenesulfonamide
PubChem CID62058430
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-amino-N-benzyl-3-fluorobenzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H13FN2O2S/c14-11-7-4-8-12(13(11)15)19(17,18)16-9-10-5-2-1-3-6-10/h1-8,16H,9,15H2
InChIKeySADKCGCFOJYBBE-UHFFFAOYSA-N
XLogP1.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.89
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-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
N-benzylnaphthalene-1-sulfonamide
CID 3844256
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-benzyl-3-fluorobenzenesulfonamide (CID 62058430) is 2-amino-N-benzyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-benzyl-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-benzyl-3-fluorobenzenesulfonamide is Nc1c(F)cccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-3-fluorobenzenesulfonamide?
The InChIKey is SADKCGCFOJYBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-11-7-4-8-12(13(11)15)19(17,18)16-9-10-5-2-1-3-6-10/h1-8,16H,9,15H2.
What are the key properties of 2-amino-N-benzyl-3-fluorobenzenesulfonamide?
2-amino-N-benzyl-3-fluorobenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 62058430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).