3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide

C12H12FN3O3S — CID 116812631

IUPAC3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1N
InChIInChI=1S/C12H12FN3O3S/c1-19-10-6-5-8(7-9(10)14)20(17,18)16-12-4-2-3-11(13)15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyPANCTAAALYHHKB-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide

3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 116812631) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID116812631
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1N
InChIInChI=1S/C12H12FN3O3S/c1-19-10-6-5-8(7-9(10)14)20(17,18)16-12-4-2-3-11(13)15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyPANCTAAALYHHKB-UHFFFAOYSA-N
XLogP1.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 116812631) is 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1N.
What is the InChIKey of 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is PANCTAAALYHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-19-10-6-5-8(7-9(10)14)20(17,18)16-12-4-2-3-11(13)15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide?
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 116812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).