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

C17H12Cl2FN3O3S — CID 25474281

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C17H12Cl2FN3O3S/c1-10-2-3-11(20)8-15(10)22-27(25,26)13-6-4-12(5-7-13)23-17(24)16(19)14(18)9-21-23/h2-9,22H,1H3
InChIKeyOSDIWHIYXNRDAB-UHFFFAOYSA-N
MW428.27 g/mol
LogP3.79
Rot. Bonds4

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

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 25474281) has the molecular formula C17H12Cl2FN3O3S and a molecular weight of 428.27 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID25474281
Molecular FormulaC17H12Cl2FN3O3S
Molecular Weight428.27 g/mol
Exact Mass427.00
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C17H12Cl2FN3O3S/c1-10-2-3-11(20)8-15(10)22-27(25,26)13-6-4-12(5-7-13)23-17(24)16(19)14(18)9-21-23/h2-9,22H,1H3
InChIKeyOSDIWHIYXNRDAB-UHFFFAOYSA-N
XLogP3.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 53.79
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-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (CID 25474281) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is OSDIWHIYXNRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3S/c1-10-2-3-11(20)8-15(10)22-27(25,26)13-6-4-12(5-7-13)23-17(24)16(19)14(18)9-21-23/h2-9,22H,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 428.27 g/mol, XLogP of 3.79, 4 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-(5-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 25474281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).