4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C25H27N5O4S — CID 122305882

IUPAC4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(C)c1C
InChIInChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-14-13-24(26-27-25)30-19(5)17(3)18(4)28-30/h7-14,29H,1-6H3
InChIKeyNPZATEILFGCYTG-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.81
Rot. Bonds7

About 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122305882) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122305882
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(C)c1C
InChIInChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-14-13-24(26-27-25)30-19(5)17(3)18(4)28-30/h7-14,29H,1-6H3
InChIKeyNPZATEILFGCYTG-UHFFFAOYSA-N
XLogP4.81
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,4-dimethoxybenzenesulfonamide
CID 122307247
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122313487
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122305881
3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305886
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 122306992
N-[3-methyl-4-[[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122311402
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311196
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122307004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122305882) is 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is NPZATEILFGCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-14-13-24(26-27-25)30-19(5)17(3)18(4)28-30/h7-14,29H,1-6H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122305882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).