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

C17H20FN3O4S — CID 52905747

IUPAC2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C17H20FN3O4S/c1-12(2)8-9-19-15(22)11-21-17(23)7-6-16(20-21)26(24,25)14-5-3-4-13(18)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyOYKDXWVKKPPFBY-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.38
Rot. Bonds7

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

2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 52905747) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID52905747
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C17H20FN3O4S/c1-12(2)8-9-19-15(22)11-21-17(23)7-6-16(20-21)26(24,25)14-5-3-4-13(18)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyOYKDXWVKKPPFBY-UHFFFAOYSA-N
XLogP1.38
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (CID 52905747) is 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is OYKDXWVKKPPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-12(2)8-9-19-15(22)11-21-17(23)7-6-16(20-21)26(24,25)14-5-3-4-13(18)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 52905747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).