N-benzyl-4-fluorobenzenesulfonamide

C13H12FNO2S — CID 835474

IUPACN-benzyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyYKJHIJIVPYDTOH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.30
Rot. Bonds4

About N-benzyl-4-fluorobenzenesulfonamide

N-benzyl-4-fluorobenzenesulfonamide (PubChem CID 835474) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-benzyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluorobenzenesulfonamide
PubChem CID835474
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-benzyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyYKJHIJIVPYDTOH-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-[[3-(bromomethyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 114297971
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-(benzylsulfamoyl)benzoate
CID 4743721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-4-fluorobenzenesulfonamide (CID 835474) is N-benzyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-fluorobenzenesulfonamide?
The InChIKey is YKJHIJIVPYDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of N-benzyl-4-fluorobenzenesulfonamide?
N-benzyl-4-fluorobenzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 835474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).