N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide

C20H21N3O4S2 — CID 41159413

IUPACN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2)nn1
InChIInChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-10-9-19(21-22-20)16-5-7-17(8-6-16)23-29(26,27)18-12-14(2)11-15(3)13-18/h5-13,23H,4H2,1-3H3
InChIKeyJKEMCNYGXHCYKW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.35
Rot. Bonds6

About N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 41159413) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
PubChem CID41159413
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2)nn1
InChIInChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-10-9-19(21-22-20)16-5-7-17(8-6-16)23-29(26,27)18-12-14(2)11-15(3)13-18/h5-13,23H,4H2,1-3H3
InChIKeyJKEMCNYGXHCYKW-UHFFFAOYSA-N
XLogP3.35
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
CID 41159416
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 41159369
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 7553622

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide (CID 41159413) is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide is CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is JKEMCNYGXHCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-10-9-19(21-22-20)16-5-7-17(8-6-16)23-29(26,27)18-12-14(2)11-15(3)13-18/h5-13,23H,4H2,1-3H3.
What are the key properties of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide?
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 41159413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).