2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C9H13FN2O3S — CID 62058435

IUPAC2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2O3S/c1-15-6-5-12-16(13,14)8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3
InChIKeyWRVFFGYWTGQZGA-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.33
Rot. Bonds5

About 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 62058435) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID62058435
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2O3S/c1-15-6-5-12-16(13,14)8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3
InChIKeyWRVFFGYWTGQZGA-UHFFFAOYSA-N
XLogP0.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413720
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 120717735
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 62058435) is 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is WRVFFGYWTGQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-15-6-5-12-16(13,14)8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 62058435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).