4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C13H11FN2O3S — CID 103862771

IUPAC4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-2-4-11(5-3-10)20(18,19)16-13-6-7-15-8-12(13)14/h2-8H,1H3,(H,15,16)
InChIKeyYDKFZJFCNVFEPF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds4

About 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 103862771) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID103862771
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-2-4-11(5-3-10)20(18,19)16-13-6-7-15-8-12(13)14/h2-8H,1H3,(H,15,16)
InChIKeyYDKFZJFCNVFEPF-UHFFFAOYSA-N
XLogP2.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide 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

4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107595353
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 103862771) is 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccncc2F)cc1.
What is the InChIKey of 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is YDKFZJFCNVFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-9(17)10-2-4-11(5-3-10)20(18,19)16-13-6-7-15-8-12(13)14/h2-8H,1H3,(H,15,16).
What are the key properties of 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide has a molecular weight of 294.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103862771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).