N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C22H19N5O4S — CID 122306812

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2)nn1
InChIInChI=1S/C22H19N5O4S/c1-15-23-11-12-27(15)21-8-9-22(25-24-21)31-18-4-2-17(3-5-18)26-32(28,29)19-6-7-20-16(14-19)10-13-30-20/h2-9,11-12,14,26H,10,13H2,1H3
InChIKeyQHPODRQEQBUDPE-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 122306812) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID122306812
Molecular FormulaC22H19N5O4S
Molecular Weight449.49 g/mol
Exact Mass449.12
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2)nn1
InChIInChI=1S/C22H19N5O4S/c1-15-23-11-12-27(15)21-8-9-22(25-24-21)31-18-4-2-17(3-5-18)26-32(28,29)19-6-7-20-16(14-19)10-13-30-20/h2-9,11-12,14,26H,10,13H2,1H3
InChIKeyQHPODRQEQBUDPE-UHFFFAOYSA-N
XLogP3.50
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
2,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306609
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306618
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122305881
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312325
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 122306992
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122307004
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
4-acetyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312502

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 122306812) is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2)nn1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is QHPODRQEQBUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S/c1-15-23-11-12-27(15)21-8-9-22(25-24-21)31-18-4-2-17(3-5-18)26-32(28,29)19-6-7-20-16(14-19)10-13-30-20/h2-9,11-12,14,26H,10,13H2,1H3.
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 449.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 122306812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).