2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide

C19H15BrFN3O4S — CID 53073456

IUPAC2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C19H15BrFN3O4S/c1-12-2-5-14(21)10-16(12)22-17(25)11-24-19(26)9-8-18(23-24)29(27,28)15-6-3-13(20)4-7-15/h2-10H,11H2,1H3,(H,22,25)
InChIKeyCCQDDQSZIWXOGE-UHFFFAOYSA-N
MW480.32 g/mol
LogP2.92
Rot. Bonds5

About 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide

2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 53073456) has the molecular formula C19H15BrFN3O4S and a molecular weight of 480.32 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID53073456
Molecular FormulaC19H15BrFN3O4S
Molecular Weight480.32 g/mol
Exact Mass479.00
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C19H15BrFN3O4S/c1-12-2-5-14(21)10-16(12)22-17(25)11-24-19(26)9-8-18(23-24)29(27,28)15-6-3-13(20)4-7-15/h2-10H,11H2,1H3,(H,22,25)
InChIKeyCCQDDQSZIWXOGE-UHFFFAOYSA-N
XLogP2.92
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide (CID 53073456) is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is CCQDDQSZIWXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O4S/c1-12-2-5-14(21)10-16(12)22-17(25)11-24-19(26)9-8-18(23-24)29(27,28)15-6-3-13(20)4-7-15/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 480.32 g/mol, XLogP of 2.92, 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-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 53073456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).