4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

C22H25N3O4S — CID 41241285

IUPAC4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-2-3-17-29-19-9-11-20(12-10-19)30(27,28)23-15-16-25-22(26)14-13-21(24-25)18-7-5-4-6-8-18/h4-14,23H,2-3,15-17H2,1H3
InChIKeyMNYXYHQIQYIAJP-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.07
Rot. Bonds10

About 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 41241285) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID41241285
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-2-3-17-29-19-9-11-20(12-10-19)30(27,28)23-15-16-25-22(26)14-13-21(24-25)18-7-5-4-6-8-18/h4-14,23H,2-3,15-17H2,1H3
InChIKeyMNYXYHQIQYIAJP-UHFFFAOYSA-N
XLogP3.07
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 41241586
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41241538
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 41241285) is 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MNYXYHQIQYIAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-2-3-17-29-19-9-11-20(12-10-19)30(27,28)23-15-16-25-22(26)14-13-21(24-25)18-7-5-4-6-8-18/h4-14,23H,2-3,15-17H2,1H3.
What are the key properties of 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 41241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).