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

C20H19Cl2N3O3S — CID 24662133

IUPACN-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-2-3-4-14-5-7-15(8-6-14)24-29(27,28)17-11-9-16(10-12-17)25-20(26)19(22)18(21)13-23-25/h5-13,24H,2-4H2,1H3
InChIKeyCXGZCGQAVLDSRR-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.68
Rot. Bonds7

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

N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (PubChem CID 24662133) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
PubChem CID24662133
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC NameN-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-2-3-4-14-5-7-15(8-6-14)24-29(27,28)17-11-9-16(10-12-17)25-20(26)19(22)18(21)13-23-25/h5-13,24H,2-4H2,1H3
InChIKeyCXGZCGQAVLDSRR-UHFFFAOYSA-N
XLogP4.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (CID 24662133) is N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The InChIKey is CXGZCGQAVLDSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-2-3-4-14-5-7-15(8-6-14)24-29(27,28)17-11-9-16(10-12-17)25-20(26)19(22)18(21)13-23-25/h5-13,24H,2-4H2,1H3.
What are the key properties of N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide has a molecular weight of 452.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 24662133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).