N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide

C13H13FN2O2S — CID 39380215

IUPACN-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2O2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9,15H2
InChIKeyWWIQUELYLRFYIJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.89
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide

N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 39380215) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID39380215
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2O2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9,15H2
InChIKeyWWIQUELYLRFYIJ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
3-amino-4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 115328602
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide (CID 39380215) is N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide is Nc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is WWIQUELYLRFYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9,15H2.
What are the key properties of N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide?
N-[(4-aminophenyl)methyl]-4-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 N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 39380215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).