N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C19H16BrN3O4S — CID 53073460

IUPACN-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16BrN3O4S/c20-15-6-8-16(9-7-15)28(26,27)18-10-11-19(25)23(22-18)13-17(24)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyXNQGIDLJVWJTMR-UHFFFAOYSA-N
MW462.33 g/mol
LogP2.15
Rot. Bonds6

About N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073460) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073460
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC NameN-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16BrN3O4S/c20-15-6-8-16(9-7-15)28(26,27)18-10-11-19(25)23(22-18)13-17(24)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyXNQGIDLJVWJTMR-UHFFFAOYSA-N
XLogP2.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849545
2-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(4-fluorobenzyl)acetamide
CID 49668397
2-[3-(4-Bromobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53073456
N-[(4-Fluorophenyl)methyl]-2-[3-(3-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 53073569
N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073606
2-[3-(3-Fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53073611
N-[(2-Bromophenyl)methyl]-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 53073615
N-[(4-Fluorophenyl)methyl]-2-{6-oxo-3-[4-(propan-2-YL)benzenesulfonyl]-1,6-dihydropyridazin-1-YL}acetamide
CID 53073678
2-[3-(3-Fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[(4-methylphenyl)methyl]acetamide
CID 84223349
N-(4-methylbenzyl)-2-(6-oxo-3-tosylpyridazin-1(6H)-yl)acetamide
CID 52905744
N-Benzyl-2-[3-(4-bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53004541
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2-phenylethyl)acetamide
CID 53004543

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073460) is N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is XNQGIDLJVWJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c20-15-6-8-16(9-7-15)28(26,27)18-10-11-19(25)23(22-18)13-17(24)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 462.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).