4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

C26H20N4O3S — CID 122307759

IUPAC4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O3S/c31-34(32,24-14-8-21(9-15-24)20-6-2-1-3-7-20)29-22-10-12-23(13-11-22)33-26-17-16-25(27-28-26)30-18-4-5-19-30/h1-19,29H
InChIKeyGEMJAAWZIOGQQY-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.53
Rot. Bonds7

About 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122307759) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122307759
Molecular FormulaC26H20N4O3S
Molecular Weight468.54 g/mol
Exact Mass468.13
IUPAC Name4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O3S/c31-34(32,24-14-8-21(9-15-24)20-6-2-1-3-7-20)29-22-10-12-23(13-11-22)33-26-17-16-25(27-28-26)30-18-4-5-19-30/h1-19,29H
InChIKeyGEMJAAWZIOGQQY-UHFFFAOYSA-N
XLogP5.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
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
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide
CID 122307965
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122307950
3-methyl-2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzoxazole-5-sulfonamide
CID 122307951
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122307759) is 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is GEMJAAWZIOGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c31-34(32,24-14-8-21(9-15-24)20-6-2-1-3-7-20)29-22-10-12-23(13-11-22)33-26-17-16-25(27-28-26)30-18-4-5-19-30/h1-19,29H.
What are the key properties of 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 468.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122307759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).