2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

C15H19N3O3S — CID 42226761

IUPAC2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2ncccc2=O)cc1C
InChIInChI=1S/C15H19N3O3S/c1-11-9-13(3)14(10-12(11)2)22(20,21)17-7-8-18-15(19)5-4-6-16-18/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyIGJXWRGBURGCSL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.15
Rot. Bonds5

About 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42226761) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42226761
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2ncccc2=O)cc1C
InChIInChI=1S/C15H19N3O3S/c1-11-9-13(3)14(10-12(11)2)22(20,21)17-7-8-18-15(19)5-4-6-16-18/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyIGJXWRGBURGCSL-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

2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 45496984
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 62850666
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (CID 42226761) is 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2ncccc2=O)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is IGJXWRGBURGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-9-13(3)14(10-12(11)2)22(20,21)17-7-8-18-15(19)5-4-6-16-18/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-(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 2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42226761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).