4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide

C18H15Cl2N3O3S — CID 31694924

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-2-12-4-3-5-13(10-12)22-27(25,26)15-8-6-14(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3
InChIKeyZZXREFMUHLXPTI-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.90
Rot. Bonds5

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide (PubChem CID 31694924) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide
PubChem CID31694924
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-2-12-4-3-5-13(10-12)22-27(25,26)15-8-6-14(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3
InChIKeyZZXREFMUHLXPTI-UHFFFAOYSA-N
XLogP3.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.90
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-(3-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide (CID 31694924) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide is CCc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide?
The InChIKey is ZZXREFMUHLXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c1-2-12-4-3-5-13(10-12)22-27(25,26)15-8-6-14(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide has a molecular weight of 424.31 g/mol, XLogP of 3.90, 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-(3-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 31694924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).