N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

C14H17FN4O2S — CID 16942060

IUPACN-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C14H17FN4O2S/c1-2-3-10-16-13-8-9-14(18-17-13)19-22(20,21)12-6-4-11(15)5-7-12/h4-9H,2-3,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGKWNUIWUJFYKGR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.63
Rot. Bonds7

About N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 16942060) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID16942060
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C14H17FN4O2S/c1-2-3-10-16-13-8-9-14(18-17-13)19-22(20,21)12-6-4-11(15)5-7-12/h4-9H,2-3,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGKWNUIWUJFYKGR-UHFFFAOYSA-N
XLogP2.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042623
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113044727
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (CID 16942060) is N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is GKWNUIWUJFYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-2-3-10-16-13-8-9-14(18-17-13)19-22(20,21)12-6-4-11(15)5-7-12/h4-9H,2-3,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16942060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).