N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide

C24H21N3O4S2 — CID 41159266

IUPACN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1
InChIInChI=1S/C24H21N3O4S2/c1-2-32(28,29)24-16-15-23(25-26-24)20-9-6-10-21(17-20)27-33(30,31)22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17,27H,2H2,1H3
InChIKeyACECOFNIMAHGQC-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.41
Rot. Bonds7

About N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide (PubChem CID 41159266) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
PubChem CID41159266
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1
InChIInChI=1S/C24H21N3O4S2/c1-2-32(28,29)24-16-15-23(25-26-24)20-9-6-10-21(17-20)27-33(30,31)22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17,27H,2H2,1H3
InChIKeyACECOFNIMAHGQC-UHFFFAOYSA-N
XLogP4.41
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 43985818
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
CID 41159416
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide (CID 41159266) is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide is CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is ACECOFNIMAHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-2-32(28,29)24-16-15-23(25-26-24)20-9-6-10-21(17-20)27-33(30,31)22-13-11-19(12-14-22)18-7-4-3-5-8-18/h3-17,27H,2H2,1H3.
What are the key properties of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide?
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 41159266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).