2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide

C19H22Cl2N4O5S — CID 162727351

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCC[C@@H]1CO
InChIInChI=1S/C19H22Cl2N4O5S/c1-12-5-6-13(23-17(27)10-24-19(28)18(21)15(20)9-22-24)8-16(12)31(29,30)25-7-3-2-4-14(25)11-26/h5-6,8-9,14,26H,2-4,7,10-11H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyCRKYPIDSRWAMMY-CQSZACIVSA-N
MW489.38 g/mol
LogP2.03
Rot. Bonds6

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide (PubChem CID 162727351) has the molecular formula C19H22Cl2N4O5S and a molecular weight of 489.38 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
PubChem CID162727351
Molecular FormulaC19H22Cl2N4O5S
Molecular Weight489.38 g/mol
Exact Mass488.07
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCC[C@@H]1CO
InChIInChI=1S/C19H22Cl2N4O5S/c1-12-5-6-13(23-17(27)10-24-19(28)18(21)15(20)9-22-24)8-16(12)31(29,30)25-7-3-2-4-14(25)11-26/h5-6,8-9,14,26H,2-4,7,10-11H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyCRKYPIDSRWAMMY-CQSZACIVSA-N
XLogP2.03
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
CID 162727569
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 162728053
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3,4-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 162727771
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 162727526
2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 162728146
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide (CID 162727351) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCC[C@@H]1CO.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The InChIKey is CRKYPIDSRWAMMY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22Cl2N4O5S/c1-12-5-6-13(23-17(27)10-24-19(28)18(21)15(20)9-22-24)8-16(12)31(29,30)25-7-3-2-4-14(25)11-26/h5-6,8-9,14,26H,2-4,7,10-11H2,1H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide has a molecular weight of 489.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide is sourced from PubChem (CID 162727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).