2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide

C23H27N3O4S — CID 41349122

IUPAC2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OCC)cc2)nn1
InChIInChI=1S/C23H27N3O4S/c1-5-29-21-13-9-18(16(3)4)15-22(21)31(27,28)26-19-10-7-17(8-11-19)20-12-14-23(25-24-20)30-6-2/h7-16,26H,5-6H2,1-4H3
InChIKeyXSKMVGVOMQPBHK-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.87
Rot. Bonds9

About 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 41349122) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID41349122
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OCC)cc2)nn1
InChIInChI=1S/C23H27N3O4S/c1-5-29-21-13-9-18(16(3)4)15-22(21)31(27,28)26-19-10-7-17(8-11-19)20-12-14-23(25-24-20)30-6-2/h7-16,26H,5-6H2,1-4H3
InChIKeyXSKMVGVOMQPBHK-UHFFFAOYSA-N
XLogP4.87
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349111
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 22576020
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 91670292
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide (CID 41349122) is 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OCC)cc2)nn1.
What is the InChIKey of 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is XSKMVGVOMQPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-5-29-21-13-9-18(16(3)4)15-22(21)31(27,28)26-19-10-7-17(8-11-19)20-12-14-23(25-24-20)30-6-2/h7-16,26H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 41349122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).