4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide

C17H14F2N4O2S — CID 113047218

IUPAC4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccccc3F)nn2)ccc1F
InChIInChI=1S/C17H14F2N4O2S/c1-11-10-12(6-7-13(11)18)26(24,25)23-17-9-8-16(21-22-17)20-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFRSRXVJOFMQUSO-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.61
Rot. Bonds5

About 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide

4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 113047218) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
PubChem CID113047218
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccccc3F)nn2)ccc1F
InChIInChI=1S/C17H14F2N4O2S/c1-11-10-12(6-7-13(11)18)26(24,25)23-17-9-8-16(21-22-17)20-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFRSRXVJOFMQUSO-UHFFFAOYSA-N
XLogP3.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide (CID 113047218) is 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Nc3ccccc3F)nn2)ccc1F.
What is the InChIKey of 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is FRSRXVJOFMQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-11-10-12(6-7-13(11)18)26(24,25)23-17-9-8-16(21-22-17)20-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 376.39 g/mol, XLogP of 3.61, 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-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113047218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).