2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide

C19H16BrN3O3S — CID 26841808

IUPAC2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1
InChIInChI=1S/C19H16BrN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)13-6-5-7-14(12-13)21-19(24)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyDMTQHXKIMPQBGU-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide

2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (PubChem CID 26841808) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
PubChem CID26841808
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1
InChIInChI=1S/C19H16BrN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)13-6-5-7-14(12-13)21-19(24)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyDMTQHXKIMPQBGU-UHFFFAOYSA-N
XLogP3.95
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18567813
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (CID 26841808) is 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1.
What is the InChIKey of 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is DMTQHXKIMPQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)13-6-5-7-14(12-13)21-19(24)15-8-3-4-9-16(15)20/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 446.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 26841808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).