2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

C20H19Cl2N5O4S — CID 162727449

IUPAC2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Cl)c(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C20H19Cl2N5O4S/c1-13-5-6-15(25-18(28)12-27-19(29)11-16(21)20(22)26-27)10-17(13)32(30,31)24-9-7-14-4-2-3-8-23-14/h2-6,8,10-11,24H,7,9,12H2,1H3,(H,25,28)
InChIKeyAZZNNYMOFPUSGO-UHFFFAOYSA-N
MW496.38 g/mol
LogP2.41
Rot. Bonds8

About 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (PubChem CID 162727449) has the molecular formula C20H19Cl2N5O4S and a molecular weight of 496.38 g/mol. Its IUPAC name is 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
PubChem CID162727449
Molecular FormulaC20H19Cl2N5O4S
Molecular Weight496.38 g/mol
Exact Mass495.05
IUPAC Name2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Cl)c(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C20H19Cl2N5O4S/c1-13-5-6-15(25-18(28)12-27-19(29)11-16(21)20(22)26-27)10-17(13)32(30,31)24-9-7-14-4-2-3-8-23-14/h2-6,8,10-11,24H,7,9,12H2,1H3,(H,25,28)
InChIKeyAZZNNYMOFPUSGO-UHFFFAOYSA-N
XLogP2.41
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727394
2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727733
2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
CID 162727152
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[3-(2-pyridin-2-ylethylsulfamoyl)-4-(trifluoromethyl)phenyl]acetamide
CID 162727195
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 161086705
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 162728053
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
CID 162727151
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (CID 162727449) is 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2nc(Cl)c(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The InChIKey is AZZNNYMOFPUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O4S/c1-13-5-6-15(25-18(28)12-27-19(29)11-16(21)20(22)26-27)10-17(13)32(30,31)24-9-7-14-4-2-3-8-23-14/h2-6,8,10-11,24H,7,9,12H2,1H3,(H,25,28).
What are the key properties of 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide has a molecular weight of 496.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 162727449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).