N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide

C12H22N4O2S — CID 113038387

IUPACN-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CCCC)nn1
InChIInChI=1S/C12H22N4O2S/c1-3-5-9-13-11-7-8-12(15-14-11)16-19(17,18)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUCSXVUKKDKYHHL-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.23
Rot. Bonds9

About N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide

N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113038387) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113038387
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CCCC)nn1
InChIInChI=1S/C12H22N4O2S/c1-3-5-9-13-11-7-8-12(15-14-11)16-19(17,18)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUCSXVUKKDKYHHL-UHFFFAOYSA-N
XLogP2.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.23
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-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042623
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042814
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
CID 113039015
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide (CID 113038387) is N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide is CCCCNc1ccc(NS(=O)(=O)CCCC)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is UCSXVUKKDKYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-5-9-13-11-7-8-12(15-14-11)16-19(17,18)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide?
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.23, 9 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]butane-1-sulfonamide is sourced from PubChem (CID 113038387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).