N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

C14H17N3O3S — CID 118022034

IUPACN-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2nn(C)c(=O)cc2C)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)14-10(2)8-13(18)17(3)15-14/h5-9,16H,4H2,1-3H3
InChIKeyVVYZQRYIBDZYKW-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (PubChem CID 118022034) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
PubChem CID118022034
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2nn(C)c(=O)cc2C)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)14-10(2)8-13(18)17(3)15-14/h5-9,16H,4H2,1-3H3
InChIKeyVVYZQRYIBDZYKW-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

Analyze N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide 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 N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (CID 118022034) is N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2nn(C)c(=O)cc2C)c1.
What is the InChIKey of N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The InChIKey is VVYZQRYIBDZYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)14-10(2)8-13(18)17(3)15-14/h5-9,16H,4H2,1-3H3.
What are the key properties of N-[3-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
N-[3-(1,4-dimethyl-6-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-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 118022034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).