4-acetyl-N-pyridin-3-ylbenzenesulfonamide

C13H12N2O3S — CID 22750329

IUPAC4-acetyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h2-9,15H,1H3
InChIKeyUWJIKBPKBYVVPF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.09
Rot. Bonds4

About 4-acetyl-N-pyridin-3-ylbenzenesulfonamide

4-acetyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 22750329) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-acetyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID22750329
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-acetyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h2-9,15H,1H3
InChIKeyUWJIKBPKBYVVPF-UHFFFAOYSA-N
XLogP2.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283
2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 92646116
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-pyridin-3-ylbenzenesulfonamide (CID 22750329) is 4-acetyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-pyridin-3-ylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-acetyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is UWJIKBPKBYVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h2-9,15H,1H3.
What are the key properties of 4-acetyl-N-pyridin-3-ylbenzenesulfonamide?
4-acetyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 22750329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).