2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide

C13H9ClFN3O2S — CID 64914782

IUPAC2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C13H9ClFN3O2S/c14-9-5-4-8(7-16)12(6-9)18-21(19,20)13-10(15)2-1-3-11(13)17/h1-6,18H,17H2
InChIKeyUIBFIVFLNCXUPP-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide

2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide (PubChem CID 64914782) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
PubChem CID64914782
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C13H9ClFN3O2S/c14-9-5-4-8(7-16)12(6-9)18-21(19,20)13-10(15)2-1-3-11(13)17/h1-6,18H,17H2
InChIKeyUIBFIVFLNCXUPP-UHFFFAOYSA-N
XLogP2.73
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(5-chloro-2-cyanophenyl)-6-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

4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide (CID 64914782) is 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide is N#Cc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide?
The InChIKey is UIBFIVFLNCXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-9-5-4-8(7-16)12(6-9)18-21(19,20)13-10(15)2-1-3-11(13)17/h1-6,18H,17H2.
What are the key properties of 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide?
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 64914782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).