N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

C17H24N4O2S — CID 113038394

IUPACN-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H24N4O2S/c1-4-5-12-18-16-10-11-17(20-19-16)21-24(22,23)15-8-6-14(7-9-15)13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyDNEQKAAEHMQBIX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.61
Rot. Bonds8

About N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113038394) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113038394
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H24N4O2S/c1-4-5-12-18-16-10-11-17(20-19-16)21-24(22,23)15-8-6-14(7-9-15)13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyDNEQKAAEHMQBIX-UHFFFAOYSA-N
XLogP3.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.61
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-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
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-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
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-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 113038394) is N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DNEQKAAEHMQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-5-12-18-16-10-11-17(20-19-16)21-24(22,23)15-8-6-14(7-9-15)13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.61, 8 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113038394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).