3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

C13H11FN2O3S — CID 103775761

IUPAC3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)nc2)c1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-11-5-6-13(14)15-8-11/h2-8,16H,1H3
InChIKeyYBVITLVWWBZITJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds4

About 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 103775761) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
PubChem CID103775761
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)nc2)c1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-11-5-6-13(14)15-8-11/h2-8,16H,1H3
InChIKeyYBVITLVWWBZITJ-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

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 103777928
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (CID 103775761) is 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)nc2)c1.
What is the InChIKey of 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is YBVITLVWWBZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-11-5-6-13(14)15-8-11/h2-8,16H,1H3.
What are the key properties of 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
3-acetyl-N-(6-fluoro-3-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 3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103775761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).