N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C20H21N3O3S — CID 7553622

IUPACN-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)nn1
InChIInChI=1S/C20H21N3O3S/c1-13-11-14(2)20(15(3)12-13)27(24,25)23-17-7-5-16(6-8-17)18-9-10-19(26-4)22-21-18/h5-12,23H,1-4H3
InChIKeyYHIWDFUETMQBJF-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.88
Rot. Bonds5

About N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 7553622) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID7553622
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)nn1
InChIInChI=1S/C20H21N3O3S/c1-13-11-14(2)20(15(3)12-13)27(24,25)23-17-7-5-16(6-8-17)18-9-10-19(26-4)22-21-18/h5-12,23H,1-4H3
InChIKeyYHIWDFUETMQBJF-UHFFFAOYSA-N
XLogP3.88
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 7553647
2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 43069543
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
2,4,6-trimethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873603
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 7553622) is N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)nn1.
What is the InChIKey of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is YHIWDFUETMQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-11-14(2)20(15(3)12-13)27(24,25)23-17-7-5-16(6-8-17)18-9-10-19(26-4)22-21-18/h5-12,23H,1-4H3.
What are the key properties of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 7553622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).