N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide

C15H17BrN4O4S — CID 56583515

IUPACN-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C15H17BrN4O4S/c1-4-24-12-7-5-10(16)9-13(12)25(22,23)19-15(21)11-6-8-14(18-17-11)20(2)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyRWZLEQZZNPLUSV-UHFFFAOYSA-N
MW429.30 g/mol
LogP1.82
Rot. Bonds6

About N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide

N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide (PubChem CID 56583515) has the molecular formula C15H17BrN4O4S and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide
PubChem CID56583515
Molecular FormulaC15H17BrN4O4S
Molecular Weight429.30 g/mol
Exact Mass428.02
IUPAC NameN-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C15H17BrN4O4S/c1-4-24-12-7-5-10(16)9-13(12)25(22,23)19-15(21)11-6-8-14(18-17-11)20(2)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyRWZLEQZZNPLUSV-UHFFFAOYSA-N
XLogP1.82
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide (CID 56583515) is N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide is CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccc(N(C)C)nn1.
What is the InChIKey of N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide?
The InChIKey is RWZLEQZZNPLUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O4S/c1-4-24-12-7-5-10(16)9-13(12)25(22,23)19-15(21)11-6-8-14(18-17-11)20(2)3/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide?
N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide has a molecular weight of 429.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-ethoxyphenyl)sulfonyl-6-(dimethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 56583515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).