4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

C17H23N3O4S — CID 121033896

IUPAC4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1C
InChIInChI=1S/C17H23N3O4S/c1-11-10-15(13(3)14(4)17(11)24-5)25(22,23)18-8-9-20-16(21)7-6-12(2)19-20/h6-7,10,18H,8-9H2,1-5H3
InChIKeyASDPCXUFXGTBHI-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.46
Rot. Bonds6

About 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 121033896) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID121033896
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1C
InChIInChI=1S/C17H23N3O4S/c1-11-10-15(13(3)14(4)17(11)24-5)25(22,23)18-8-9-20-16(21)7-6-12(2)19-20/h6-7,10,18H,8-9H2,1-5H3
InChIKeyASDPCXUFXGTBHI-UHFFFAOYSA-N
XLogP1.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927
2,4-dichloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylbenzenesulfonamide
CID 121034014
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (CID 121033896) is 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCCn2nc(C)ccc2=O)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ASDPCXUFXGTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11-10-15(13(3)14(4)17(11)24-5)25(22,23)18-8-9-20-16(21)7-6-12(2)19-20/h6-7,10,18H,8-9H2,1-5H3.
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121033896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).