4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide

C11H13N3O3S — CID 155517996

IUPAC4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1
InChIInChI=1S/C11H13N3O3S/c1-8-2-7-11(15)14(13-8)9-3-5-10(6-4-9)18(12,16)17/h3-6H,2,7H2,1H3,(H2,12,16,17)
InChIKeyYBPHQXQYXLFKKW-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.84
Rot. Bonds2

About 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide

4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide (PubChem CID 155517996) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide
PubChem CID155517996
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1
InChIInChI=1S/C11H13N3O3S/c1-8-2-7-11(15)14(13-8)9-3-5-10(6-4-9)18(12,16)17/h3-6H,2,7H2,1H3,(H2,12,16,17)
InChIKeyYBPHQXQYXLFKKW-UHFFFAOYSA-N
XLogP0.84
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide (CID 155517996) is 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide is CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1.
What is the InChIKey of 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide?
The InChIKey is YBPHQXQYXLFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-2-7-11(15)14(13-8)9-3-5-10(6-4-9)18(12,16)17/h3-6H,2,7H2,1H3,(H2,12,16,17).
What are the key properties of 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide?
4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 155517996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).