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

C16H18FN3O4S — CID 86810342

IUPACN-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C16H18FN3O4S/c1-3-11(2)18-14(21)10-20-16(22)8-7-15(19-20)25(23,24)13-6-4-5-12(17)9-13/h4-9,11H,3,10H2,1-2H3,(H,18,21)
InChIKeyRGAXZVOIXXXEOK-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.13
Rot. Bonds6

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

N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 86810342) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID86810342
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C16H18FN3O4S/c1-3-11(2)18-14(21)10-20-16(22)8-7-15(19-20)25(23,24)13-6-4-5-12(17)9-13/h4-9,11H,3,10H2,1-2H3,(H,18,21)
InChIKeyRGAXZVOIXXXEOK-UHFFFAOYSA-N
XLogP1.13
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 86810342) is N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is CCC(C)NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O.
What is the InChIKey of N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RGAXZVOIXXXEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-3-11(2)18-14(21)10-20-16(22)8-7-15(19-20)25(23,24)13-6-4-5-12(17)9-13/h4-9,11H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 86810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).