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

C21H18N4O4S — CID 122307746

IUPAC4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-28-17-8-10-19(11-9-17)30(26,27)24-16-4-6-18(7-5-16)29-21-13-12-20(22-23-21)25-14-2-3-15-25/h2-15,24H,1H3
InChIKeyWXXTUORFCFGYIO-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.87
Rot. Bonds7

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

4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122307746) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122307746
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-28-17-8-10-19(11-9-17)30(26,27)24-16-4-6-18(7-5-16)29-21-13-12-20(22-23-21)25-14-2-3-15-25/h2-15,24H,1H3
InChIKeyWXXTUORFCFGYIO-UHFFFAOYSA-N
XLogP3.87
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122308006
4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307759
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
3-methyl-2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzoxazole-5-sulfonamide
CID 122307951
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122307950
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122307746) is 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is WXXTUORFCFGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-28-17-8-10-19(11-9-17)30(26,27)24-16-4-6-18(7-5-16)29-21-13-12-20(22-23-21)25-14-2-3-15-25/h2-15,24H,1H3.
What are the key properties of 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122307746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).