4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide

C18H17FN4O2S — CID 16942104

IUPAC4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23)
InChIKeyCQZXOPXJLQUAKG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.07
Rot. Bonds7

About 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide

4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 16942104) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID16942104
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23)
InChIKeyCQZXOPXJLQUAKG-UHFFFAOYSA-N
XLogP3.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-6-phenylpyridazine
CID 6404648
3-fluoro-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029023
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-3-fluorobenzenesulfonamide
CID 16029078
N-{4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl}-3-(trifluoromethyl)benzene-1-sulfonamide
CID 16029177
N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 16029200
N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide
CID 22576109
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22576124
N-[6-(2-fluoro-6-piperidin-1-ylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 147022573
N-[6-(3-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 147702006
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 148477851
N-[6-(5-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 149593024
N-[6-[2-(dimethylamino)phenyl]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 153061338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (CID 16942104) is 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is CQZXOPXJLQUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23).
What are the key properties of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 372.43 g/mol, XLogP of 3.07, 7 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-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16942104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).