3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide

C13H10FN3O2S — CID 63321859

IUPAC3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H10FN3O2S/c14-10-5-11(16)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-15/h1-7,17H,16H2
InChIKeyZPZJPTUQYZBXJU-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide

3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide (PubChem CID 63321859) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide
PubChem CID63321859
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H10FN3O2S/c14-10-5-11(16)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-15/h1-7,17H,16H2
InChIKeyZPZJPTUQYZBXJU-UHFFFAOYSA-N
XLogP2.08
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-cyanophenyl)-5-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-cyanophenyl)benzenesulfonamide
CID 736007
3-amino-N-(2-cyanophenyl)-4,5-dimethylbenzenesulfonamide
CID 28522562
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109061815
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
3-amino-N-(2-bromo-5-chlorophenyl)-5-fluorobenzenesulfonamide
CID 81262265
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide (CID 63321859) is 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide is N#Cc1ccccc1NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is ZPZJPTUQYZBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-10-5-11(16)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-15/h1-7,17H,16H2.
What are the key properties of 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide?
3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63321859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).