N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide

C20H21N3O5S — CID 7553670

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nn1
InChIInChI=1S/C20H21N3O5S/c1-4-28-20-11-9-17(21-22-20)14-6-5-7-15(12-14)23-29(24,25)19-13-16(26-2)8-10-18(19)27-3/h5-13,23H,4H2,1-3H3
InChIKeyXAMXIHXPYCUKBX-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.36
Rot. Bonds8

About N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 7553670) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID7553670
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nn1
InChIInChI=1S/C20H21N3O5S/c1-4-28-20-11-9-17(21-22-20)14-6-5-7-15(12-14)23-29(24,25)19-13-16(26-2)8-10-18(19)27-3/h5-13,23H,4H2,1-3H3
InChIKeyXAMXIHXPYCUKBX-UHFFFAOYSA-N
XLogP3.36
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,3-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349130
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 18575938
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 43985767

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 7553670) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide is CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XAMXIHXPYCUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-4-28-20-11-9-17(21-22-20)14-6-5-7-15(12-14)23-29(24,25)19-13-16(26-2)8-10-18(19)27-3/h5-13,23H,4H2,1-3H3.
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7553670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).