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

C18H13BrFN3O4S — CID 53073457

IUPAC2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13BrFN3O4S/c19-12-1-7-15(8-2-12)28(26,27)17-9-10-18(25)23(22-17)11-16(24)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,24)
InChIKeyPMRSMAMKTCQHEA-UHFFFAOYSA-N
MW466.29 g/mol
LogP2.62
Rot. Bonds5

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

2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53073457) has the molecular formula C18H13BrFN3O4S and a molecular weight of 466.29 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53073457
Molecular FormulaC18H13BrFN3O4S
Molecular Weight466.29 g/mol
Exact Mass464.98
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13BrFN3O4S/c19-12-1-7-15(8-2-12)28(26,27)17-9-10-18(25)23(22-17)11-16(24)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,24)
InChIKeyPMRSMAMKTCQHEA-UHFFFAOYSA-N
XLogP2.62
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 53073408
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 95071817
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073396
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 53073457) is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PMRSMAMKTCQHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O4S/c19-12-1-7-15(8-2-12)28(26,27)17-9-10-18(25)23(22-17)11-16(24)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,24).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 466.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53073457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).