1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide

C17H17Cl2N5O5S — CID 162727569

IUPAC1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C17H17Cl2N5O5S/c1-9-2-3-11(4-13(9)30(28,29)23-6-10(7-23)16(20)26)22-14(25)8-24-17(27)15(19)12(18)5-21-24/h2-5,10H,6-8H2,1H3,(H2,20,26)(H,22,25)
InChIKeyDKLKECSARHHEPT-UHFFFAOYSA-N
MW474.33 g/mol
LogP0.60
Rot. Bonds6

About 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide

1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide (PubChem CID 162727569) has the molecular formula C17H17Cl2N5O5S and a molecular weight of 474.33 g/mol. Its IUPAC name is 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
PubChem CID162727569
Molecular FormulaC17H17Cl2N5O5S
Molecular Weight474.33 g/mol
Exact Mass473.03
IUPAC Name1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C17H17Cl2N5O5S/c1-9-2-3-11(4-13(9)30(28,29)23-6-10(7-23)16(20)26)22-14(25)8-24-17(27)15(19)12(18)5-21-24/h2-5,10H,6-8H2,1H3,(H2,20,26)(H,22,25)
InChIKeyDKLKECSARHHEPT-UHFFFAOYSA-N
XLogP0.60
TPSA144.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 162727351
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-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
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-sulfamoylphenyl)acetamide
CID 2106745
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-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 162727526

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide (CID 162727569) is 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide?
The InChIKey is DKLKECSARHHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O5S/c1-9-2-3-11(4-13(9)30(28,29)23-6-10(7-23)16(20)26)22-14(25)8-24-17(27)15(19)12(18)5-21-24/h2-5,10H,6-8H2,1H3,(H2,20,26)(H,22,25).
What are the key properties of 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide?
1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide has a molecular weight of 474.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide is sourced from PubChem (CID 162727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).