N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C20H16BrN3O5S — CID 53073446

IUPACN-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Br)cc3)ccc2=O)c1
InChIInChI=1S/C20H16BrN3O5S/c1-13(25)14-3-2-4-16(11-14)22-18(26)12-24-20(27)10-9-19(23-24)30(28,29)17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,26)
InChIKeyWMYJWJHEHJWIQP-UHFFFAOYSA-N
MW490.34 g/mol
LogP2.68
Rot. Bonds6

About N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073446) has the molecular formula C20H16BrN3O5S and a molecular weight of 490.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073446
Molecular FormulaC20H16BrN3O5S
Molecular Weight490.34 g/mol
Exact Mass489.00
IUPAC NameN-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Br)cc3)ccc2=O)c1
InChIInChI=1S/C20H16BrN3O5S/c1-13(25)14-3-2-4-16(11-14)22-18(26)12-24-20(27)10-9-19(23-24)30(28,29)17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,26)
InChIKeyWMYJWJHEHJWIQP-UHFFFAOYSA-N
XLogP2.68
TPSA115.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53073457
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 95071817
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 53073408
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665990
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073396
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 46923304
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073446) is N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Br)cc3)ccc2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WMYJWJHEHJWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O5S/c1-13(25)14-3-2-4-16(11-14)22-18(26)12-24-20(27)10-9-19(23-24)30(28,29)17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 490.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).