2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide

C19H16ClN3O5S — CID 53073409

IUPAC2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C19H16ClN3O5S/c1-28-15-6-4-14(5-7-15)21-17(24)12-23-19(25)11-10-18(22-23)29(26,27)16-8-2-13(20)3-9-16/h2-11H,12H2,1H3,(H,21,24)
InChIKeyCNCRNCIYODJFGC-UHFFFAOYSA-N
MW433.87 g/mol
LogP2.38
Rot. Bonds6

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

2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53073409) has the molecular formula C19H16ClN3O5S and a molecular weight of 433.87 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53073409
Molecular FormulaC19H16ClN3O5S
Molecular Weight433.87 g/mol
Exact Mass433.05
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C19H16ClN3O5S/c1-28-15-6-4-14(5-7-15)21-17(24)12-23-19(25)11-10-18(22-23)29(26,27)16-8-2-13(20)3-9-16/h2-11H,12H2,1H3,(H,21,24)
InChIKeyCNCRNCIYODJFGC-UHFFFAOYSA-N
XLogP2.38
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 53073408
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073396
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53073457
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
N-[2-(4-chlorophenyl)ethyl]-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073676
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073644

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 53073409) is 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is CNCRNCIYODJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5S/c1-28-15-6-4-14(5-7-15)21-17(24)12-23-19(25)11-10-18(22-23)29(26,27)16-8-2-13(20)3-9-16/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 433.87 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53073409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).