3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide

C12H11F2N3O2S — CID 115421691

IUPAC3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cn2)cc(N)c1F
InChIInChI=1S/C12H11F2N3O2S/c1-7-4-9(5-10(15)12(7)14)20(18,19)17-11-3-2-8(13)6-16-11/h2-6H,15H2,1H3,(H,16,17)
InChIKeyQZDGJBKUMHVKSC-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds3

About 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide

3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide (PubChem CID 115421691) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
PubChem CID115421691
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cn2)cc(N)c1F
InChIInChI=1S/C12H11F2N3O2S/c1-7-4-9(5-10(15)12(7)14)20(18,19)17-11-3-2-8(13)6-16-11/h2-6H,15H2,1H3,(H,16,17)
InChIKeyQZDGJBKUMHVKSC-UHFFFAOYSA-N
XLogP2.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 115421296
2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171591
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421295
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
3-amino-N-(5-fluoro-2-pyridinyl)pyridine-2-sulfonamide
CID 103306339

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide (CID 115421691) is 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)cc(N)c1F.
What is the InChIKey of 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide?
The InChIKey is QZDGJBKUMHVKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-4-9(5-10(15)12(7)14)20(18,19)17-11-3-2-8(13)6-16-11/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide?
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 115421691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).