4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

C19H17Cl2N3O3S — CID 24662089

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O3S/c1-3-13-6-4-5-12(2)18(13)23-28(26,27)15-9-7-14(8-10-15)24-19(25)17(21)16(20)11-22-24/h4-11,23H,3H2,1-2H3
InChIKeyGXKZGFLHQQSKNB-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.21
Rot. Bonds5

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (PubChem CID 24662089) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
PubChem CID24662089
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O3S/c1-3-13-6-4-5-12(2)18(13)23-28(26,27)15-9-7-14(8-10-15)24-19(25)17(21)16(20)11-22-24/h4-11,23H,3H2,1-2H3
InChIKeyGXKZGFLHQQSKNB-UHFFFAOYSA-N
XLogP4.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (CID 24662089) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The InChIKey is GXKZGFLHQQSKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-3-13-6-4-5-12(2)18(13)23-28(26,27)15-9-7-14(8-10-15)24-19(25)17(21)16(20)11-22-24/h4-11,23H,3H2,1-2H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide has a molecular weight of 438.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24662089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).