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

C14H14N2O3S — CID 63670374

IUPAC4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-9-15-8-7-14(10)16-20(18,19)13-5-3-12(4-6-13)11(2)17/h3-9H,1-2H3,(H,15,16)
InChIKeyCWFVQSZKBDVCLG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.39
Rot. Bonds4

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

4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 63670374) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID63670374
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-9-15-8-7-14(10)16-20(18,19)13-5-3-12(4-6-13)11(2)17/h3-9H,1-2H3,(H,15,16)
InChIKeyCWFVQSZKBDVCLG-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(3-methyl-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-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
CID 63671711

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 63670374) is 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccncc2C)cc1.
What is the InChIKey of 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is CWFVQSZKBDVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-9-15-8-7-14(10)16-20(18,19)13-5-3-12(4-6-13)11(2)17/h3-9H,1-2H3,(H,15,16).
What are the key properties of 4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.39, 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-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63670374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).