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

C12H12FN3O3S — CID 107594685

IUPAC3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccncc2F)cc1N
InChIInChI=1S/C12H12FN3O3S/c1-19-12-3-2-8(6-10(12)14)20(17,18)16-11-4-5-15-7-9(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyFILZCZRPAJCTLK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.61
Rot. Bonds4

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

3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 107594685) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID107594685
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccncc2F)cc1N
InChIInChI=1S/C12H12FN3O3S/c1-19-12-3-2-8(6-10(12)14)20(17,18)16-11-4-5-15-7-9(11)13/h2-7H,14H2,1H3,(H,15,16)
InChIKeyFILZCZRPAJCTLK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide (CID 107594685) is 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccncc2F)cc1N.
What is the InChIKey of 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is FILZCZRPAJCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-19-12-3-2-8(6-10(12)14)20(17,18)16-11-4-5-15-7-9(11)13/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide?
3-amino-N-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 107594685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).