N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

C15H20N4O2S — CID 113038430

IUPACN-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-3-4-11-16-14-9-10-15(18-17-14)19-22(20,21)13-8-6-5-7-12(13)2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYRTOOGJMPSVJFV-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.80
Rot. Bonds7

About N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 113038430) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID113038430
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-3-4-11-16-14-9-10-15(18-17-14)19-22(20,21)13-8-6-5-7-12(13)2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYRTOOGJMPSVJFV-UHFFFAOYSA-N
XLogP2.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.80
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-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040001
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 113038430) is N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccccc2C)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is YRTOOGJMPSVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-4-11-16-14-9-10-15(18-17-14)19-22(20,21)13-8-6-5-7-12(13)2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.80, 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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113038430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).