4-acetyl-N-pyridazin-3-ylbenzenesulfonamide

C12H11N3O3S — CID 116787283

IUPAC4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccnn2)cc1
InChIInChI=1S/C12H11N3O3S/c1-9(16)10-4-6-11(7-5-10)19(17,18)15-12-3-2-8-13-14-12/h2-8H,1H3,(H,14,15)
InChIKeySFTLMVVRRMSURX-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.48
Rot. Bonds4

About 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide

4-acetyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116787283) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116787283
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccnn2)cc1
InChIInChI=1S/C12H11N3O3S/c1-9(16)10-4-6-11(7-5-10)19(17,18)15-12-3-2-8-13-14-12/h2-8H,1H3,(H,14,15)
InChIKeySFTLMVVRRMSURX-UHFFFAOYSA-N
XLogP1.48
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide 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-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
CID 65098765
4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 116787673
6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786417
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide (CID 116787283) is 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccnn2)cc1.
What is the InChIKey of 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is SFTLMVVRRMSURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-9(16)10-4-6-11(7-5-10)19(17,18)15-12-3-2-8-13-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide?
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116787283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).