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

C20H15BrN4O3S — CID 122308006

IUPAC4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3S/c21-15-3-9-18(10-4-15)29(26,27)24-16-5-7-17(8-6-16)28-20-12-11-19(22-23-20)25-13-1-2-14-25/h1-14,24H
InChIKeyRMOPKMKOHHSFMZ-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.62
Rot. Bonds6

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

4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122308006) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122308006
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC Name4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3S/c21-15-3-9-18(10-4-15)29(26,27)24-16-5-7-17(8-6-16)28-20-12-11-19(22-23-20)25-13-1-2-14-25/h1-14,24H
InChIKeyRMOPKMKOHHSFMZ-UHFFFAOYSA-N
XLogP4.62
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.62
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-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
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979
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
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
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
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-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122308006) is 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is RMOPKMKOHHSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c21-15-3-9-18(10-4-15)29(26,27)24-16-5-7-17(8-6-16)28-20-12-11-19(22-23-20)25-13-1-2-14-25/h1-14,24H.
What are the key properties of 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122308006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).