5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide

C13H13FN2O3S — CID 43255479

IUPAC5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(15)6-7-10(13)14/h2-8,16H,15H2,1H3
InChIKeyLFRCIXORXUGOPK-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.22
Rot. Bonds4

About 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide

5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 43255479) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID43255479
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(15)6-7-10(13)14/h2-8,16H,15H2,1H3
InChIKeyLFRCIXORXUGOPK-UHFFFAOYSA-N
XLogP2.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(2-methoxyphenyl)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

N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 29099021
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
[(1S)-1-cyanoethyl] 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 31093140

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide (CID 43255479) is 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is LFRCIXORXUGOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(15)6-7-10(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 43255479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).