2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide

C13H13FN2O3S — CID 107655417

IUPAC2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2cccc(S(N)(=O)=O)c2N)c1F
InChIInChI=1S/C13H13FN2O3S/c1-8-4-2-5-9(12(8)14)19-10-6-3-7-11(13(10)15)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyGFKHIKASQQWVHG-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide

2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide (PubChem CID 107655417) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
PubChem CID107655417
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2cccc(S(N)(=O)=O)c2N)c1F
InChIInChI=1S/C13H13FN2O3S/c1-8-4-2-5-9(12(8)14)19-10-6-3-7-11(13(10)15)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyGFKHIKASQQWVHG-UHFFFAOYSA-N
XLogP2.16
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide (CID 107655417) is 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide is Cc1cccc(Oc2cccc(S(N)(=O)=O)c2N)c1F.
What is the InChIKey of 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide?
The InChIKey is GFKHIKASQQWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-8-4-2-5-9(12(8)14)19-10-6-3-7-11(13(10)15)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide?
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 107655417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).