N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C19H16Cl3N5O4S — CID 162728053

IUPACN-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCc1ccc(Cl)cn1
InChIInChI=1S/C19H16Cl3N5O4S/c1-11-2-4-13(26-17(28)10-27-19(29)18(22)15(21)9-24-27)6-16(11)32(30,31)25-8-14-5-3-12(20)7-23-14/h2-7,9,25H,8,10H2,1H3,(H,26,28)
InChIKeyRWAKHGYSIONCNF-UHFFFAOYSA-N
MW516.79 g/mol
LogP3.02
Rot. Bonds7

About N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 162728053) has the molecular formula C19H16Cl3N5O4S and a molecular weight of 516.79 g/mol. Its IUPAC name is N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID162728053
Molecular FormulaC19H16Cl3N5O4S
Molecular Weight516.79 g/mol
Exact Mass515.00
IUPAC NameN-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCc1ccc(Cl)cn1
InChIInChI=1S/C19H16Cl3N5O4S/c1-11-2-4-13(26-17(28)10-27-19(29)18(22)15(21)9-24-27)6-16(11)32(30,31)25-8-14-5-3-12(20)7-23-14/h2-7,9,25H,8,10H2,1H3,(H,26,28)
InChIKeyRWAKHGYSIONCNF-UHFFFAOYSA-N
XLogP3.02
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.79
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
CID 162727569
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727394
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 162727351
2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727733
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
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-(4-sulfamoylphenyl)acetamide
CID 2106745
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 162728053) is N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCc1ccc(Cl)cn1.
What is the InChIKey of N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is RWAKHGYSIONCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N5O4S/c1-11-2-4-13(26-17(28)10-27-19(29)18(22)15(21)9-24-27)6-16(11)32(30,31)25-8-14-5-3-12(20)7-23-14/h2-7,9,25H,8,10H2,1H3,(H,26,28).
What are the key properties of N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 516.79 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 162728053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).