N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide

C14H17N3O3S — CID 172747956

IUPACN-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2nn(C)cc(C)c2=O)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(8-12)13-14(18)10(2)9-17(3)15-13/h5-9,16H,4H2,1-3H3
InChIKeyJZCUCKHOOIBLEL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide

N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide (PubChem CID 172747956) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
PubChem CID172747956
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2nn(C)cc(C)c2=O)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(8-12)13-14(18)10(2)9-17(3)15-13/h5-9,16H,4H2,1-3H3
InChIKeyJZCUCKHOOIBLEL-UHFFFAOYSA-N
XLogP1.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
CID 71543079
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
4-[4-[3-(ethylsulfonylamino)phenyl]-3-methyl-6-oxopyridazin-1-yl]benzoic acid
CID 71541962
N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide
CID 91419391
N-[3-[1,6-dimethyl-5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzimidazol-2-yl]phenyl]ethanesulfonamide
CID 121367268
N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide
CID 18756437
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981
N-[3-[7-methyl-2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]ethanesulfonamide
CID 91465482

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide (CID 172747956) is N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2nn(C)cc(C)c2=O)c1.
What is the InChIKey of N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The InChIKey is JZCUCKHOOIBLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(8-12)13-14(18)10(2)9-17(3)15-13/h5-9,16H,4H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 172747956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).