4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide

C16H12F2N4O2S — CID 113047314

IUPAC4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N4O2S/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-20-15)22-25(23,24)14-7-3-12(18)4-8-14/h1-10H,(H,19,20)(H,21,22)
InChIKeyYVLULMWBXHMFKQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.30
Rot. Bonds5

About 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide

4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113047314) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113047314
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2N4O2S/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-20-15)22-25(23,24)14-7-3-12(18)4-8-14/h1-10H,(H,19,20)(H,21,22)
InChIKeyYVLULMWBXHMFKQ-UHFFFAOYSA-N
XLogP3.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]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-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide (CID 113047314) is 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(F)cc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is YVLULMWBXHMFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c17-11-1-5-13(6-2-11)19-15-9-10-16(21-20-15)22-25(23,24)14-7-3-12(18)4-8-14/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide?
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 362.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113047314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).