4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C13H12F2N2O2S — CID 106061759

IUPAC4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-10-2-4-11(5-3-10)17-20(18,19)13-6-1-9(8-16)7-12(13)15/h1-7,17H,8,16H2
InChIKeyBAYPGGPHLNTZBN-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.22
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 106061759) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID106061759
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-10-2-4-11(5-3-10)17-20(18,19)13-6-1-9(8-16)7-12(13)15/h1-7,17H,8,16H2
InChIKeyBAYPGGPHLNTZBN-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 106060049
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 106039463
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
4-(aminomethyl)-2-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106056789
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 106061759) is 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is BAYPGGPHLNTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-10-2-4-11(5-3-10)17-20(18,19)13-6-1-9(8-16)7-12(13)15/h1-7,17H,8,16H2.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106061759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).