2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

C15H19N3O3S — CID 121033847

IUPAC2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-14(12(2)10-11)22(20,21)16-8-9-18-15(19)7-5-13(3)17-18/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQZZDVQCMOUQYKK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.15
Rot. Bonds5

About 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 121033847) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID121033847
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-14(12(2)10-11)22(20,21)16-8-9-18-15(19)7-5-13(3)17-18/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQZZDVQCMOUQYKK-UHFFFAOYSA-N
XLogP1.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033896
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615685
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (CID 121033847) is 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is QZZDVQCMOUQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-4-6-14(12(2)10-11)22(20,21)16-8-9-18-15(19)7-5-13(3)17-18/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121033847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).