N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide

C20H19Cl2N3O3S — CID 24662193

IUPACN-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-13(2)14-4-6-15(7-5-14)24-29(27,28)17-10-8-16(9-11-17)25-20(26)19(22)18(21)12-23-25/h4-13,24H,3H2,1-2H3
InChIKeyBIQSDQWDGPLDCM-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.85
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide

N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (PubChem CID 24662193) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
PubChem CID24662193
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC NameN-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-13(2)14-4-6-15(7-5-14)24-29(27,28)17-10-8-16(9-11-17)25-20(26)19(22)18(21)12-23-25/h4-13,24H,3H2,1-2H3
InChIKeyBIQSDQWDGPLDCM-UHFFFAOYSA-N
XLogP4.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (CID 24662193) is N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is CCC(C)c1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The InChIKey is BIQSDQWDGPLDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-3-13(2)14-4-6-15(7-5-14)24-29(27,28)17-10-8-16(9-11-17)25-20(26)19(22)18(21)12-23-25/h4-13,24H,3H2,1-2H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide has a molecular weight of 452.36 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 24662193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).