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

C12H10FN3O4S — CID 53073612

IUPAC2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)21(19,20)11-4-5-12(18)16(15-11)7-10(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyGQYOXDZVNOFBTF-UHFFFAOYSA-N
MW311.29 g/mol
LogP-0.30
Rot. Bonds4

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

2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073612) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073612
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O
InChIInChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)21(19,20)11-4-5-12(18)16(15-11)7-10(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyGQYOXDZVNOFBTF-UHFFFAOYSA-N
XLogP-0.30
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073612) is 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is GQYOXDZVNOFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)21(19,20)11-4-5-12(18)16(15-11)7-10(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 311.29 g/mol, XLogP of -0.30, 4 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]acetamide is sourced from PubChem (CID 53073612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).