4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C24H25N5O4S — CID 122305101

IUPAC4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)cc1
InChIInChI=1S/C24H25N5O4S/c1-3-4-17-32-20-9-11-22(12-10-20)34(30,31)28-19-5-7-21(8-6-19)33-24-14-13-23(25-26-24)29-16-15-18(2)27-29/h5-16,28H,3-4,17H2,1-2H3
InChIKeyWTSJJVZWMQHHJE-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.74
Rot. Bonds10

About 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122305101) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122305101
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)cc1
InChIInChI=1S/C24H25N5O4S/c1-3-4-17-32-20-9-11-22(12-10-20)34(30,31)28-19-5-7-21(8-6-19)33-24-14-13-23(25-26-24)29-16-15-18(2)27-29/h5-16,28H,3-4,17H2,1-2H3
InChIKeyWTSJJVZWMQHHJE-UHFFFAOYSA-N
XLogP4.74
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305103
3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122305304
5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305268
1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305306
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122305211
4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122308006
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122305101) is 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is WTSJJVZWMQHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-3-4-17-32-20-9-11-22(12-10-20)34(30,31)28-19-5-7-21(8-6-19)33-24-14-13-23(25-26-24)29-16-15-18(2)27-29/h5-16,28H,3-4,17H2,1-2H3.
What are the key properties of 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122305101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).