N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide

C12H9F3N2O2S — CID 81314823

IUPACN-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H9F3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(15)5-8(14)6-11(12)16/h1-6,17H,16H2
InChIKeyAHNFFIXAACDKEX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.49
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide

N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 81314823) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID81314823
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H9F3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(15)5-8(14)6-11(12)16/h1-6,17H,16H2
InChIKeyAHNFFIXAACDKEX-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide 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

N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-(2-amino-4,6-difluorophenyl)-5-bromothiophene-2-sulfonamide
CID 81315432
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
CID 81314037
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide (CID 81314823) is N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is AHNFFIXAACDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(15)5-8(14)6-11(12)16/h1-6,17H,16H2.
What are the key properties of N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 302.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 81314823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).