2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C9H13FN2O3S — CID 28547191

IUPAC2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H13FN2O3S/c1-15-5-4-12-16(13,14)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyVEONJDHOBQZNGP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.33
Rot. Bonds5

About 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 28547191) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID28547191
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H13FN2O3S/c1-15-5-4-12-16(13,14)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyVEONJDHOBQZNGP-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 28547191) is 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is VEONJDHOBQZNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-15-5-4-12-16(13,14)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
2-amino-4-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-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 28547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).