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

C17H20Cl2N4O4S — CID 4793924

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C
InChIInChI=1S/C17H20Cl2N4O4S/c1-4-22(5-2)28(26,27)14-8-12(7-6-11(14)3)21-15(24)10-23-17(25)16(19)13(18)9-20-23/h6-9H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyGTDVORMDEDMSEB-UHFFFAOYSA-N
MW447.34 g/mol
LogP2.53
Rot. Bonds7

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4793924) has the molecular formula C17H20Cl2N4O4S and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4793924
Molecular FormulaC17H20Cl2N4O4S
Molecular Weight447.34 g/mol
Exact Mass446.06
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C
InChIInChI=1S/C17H20Cl2N4O4S/c1-4-22(5-2)28(26,27)14-8-12(7-6-11(14)3)21-15(24)10-23-17(25)16(19)13(18)9-20-23/h6-9H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyGTDVORMDEDMSEB-UHFFFAOYSA-N
XLogP2.53
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 4793924) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is GTDVORMDEDMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O4S/c1-4-22(5-2)28(26,27)14-8-12(7-6-11(14)3)21-15(24)10-23-17(25)16(19)13(18)9-20-23/h6-9H,4-5,10H2,1-3H3,(H,21,24).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 447.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).