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

C19H15BrFN3O4S — CID 53073615

IUPACN-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1Br
InChIInChI=1S/C19H15BrFN3O4S/c20-16-7-2-1-4-13(16)11-22-17(25)12-24-19(26)9-8-18(23-24)29(27,28)15-6-3-5-14(21)10-15/h1-10H,11-12H2,(H,22,25)
InChIKeyMVSIGVREKDANRZ-UHFFFAOYSA-N
MW480.32 g/mol
LogP2.29
Rot. Bonds6

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

N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073615) has the molecular formula C19H15BrFN3O4S and a molecular weight of 480.32 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073615
Molecular FormulaC19H15BrFN3O4S
Molecular Weight480.32 g/mol
Exact Mass479.00
IUPAC NameN-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1Br
InChIInChI=1S/C19H15BrFN3O4S/c20-16-7-2-1-4-13(16)11-22-17(25)12-24-19(26)9-8-18(23-24)29(27,28)15-6-3-5-14(21)10-15/h1-10H,11-12H2,(H,22,25)
InChIKeyMVSIGVREKDANRZ-UHFFFAOYSA-N
XLogP2.29
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073615) is N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MVSIGVREKDANRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O4S/c20-16-7-2-1-4-13(16)11-22-17(25)12-24-19(26)9-8-18(23-24)29(27,28)15-6-3-5-14(21)10-15/h1-10H,11-12H2,(H,22,25).
What are the key properties of N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 480.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).