N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

C13H15N3O3S — CID 16800295

IUPACN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C13H15N3O3S/c1-3-20(18,19)15-11-6-4-5-10(9-11)12-7-8-13(17)16(2)14-12/h4-9,15H,3H2,1-2H3
InChIKeyPMSQNSBXOMFXIV-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.21
Rot. Bonds4

About N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (PubChem CID 16800295) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
PubChem CID16800295
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C13H15N3O3S/c1-3-20(18,19)15-11-6-4-5-10(9-11)12-7-8-13(17)16(2)14-12/h4-9,15H,3H2,1-2H3
InChIKeyPMSQNSBXOMFXIV-UHFFFAOYSA-N
XLogP1.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 71805085
N-[3-(1-methyl-6-oxopyridin-3-yl)phenyl]methanesulfonamide
CID 118021604
US10023592, Example 480
CID 118022305
US10941160, Example 480
CID 146600167
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 16800294
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)propane-1-sulfonamide
CID 18588402
6-(2-Aminophenyl)-2-methyl-2,3-dihydropyridazin-3-one
CID 71778755
N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzenesulfonamide
CID 71805081
(E)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-2-(p-tolyl)ethenesulfonamide
CID 86264195
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]propane-2-sulfonamide
CID 69043774
US10023592, Example 479
CID 118022034
US10941160, Example 479
CID 146599953

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (CID 16800295) is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The InChIKey is PMSQNSBXOMFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-20(18,19)15-11-6-4-5-10(9-11)12-7-8-13(17)16(2)14-12/h4-9,15H,3H2,1-2H3.
What are the key properties of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 16800295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).