5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide

C23H23N7O4S — CID 122292633

IUPAC5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C23H23N7O4S/c1-14-12-15(2)30(28-14)22-11-10-21(26-27-22)25-16-4-6-17(7-5-16)29-35(32,33)18-8-9-20(34-3)19(13-18)23(24)31/h4-13,29H,1-3H3,(H2,24,31)(H,25,26)
InChIKeyPGDZRDDBXCUESR-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.93
Rot. Bonds8

About 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide

5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 122292633) has the molecular formula C23H23N7O4S and a molecular weight of 493.55 g/mol. Its IUPAC name is 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
PubChem CID122292633
Molecular FormulaC23H23N7O4S
Molecular Weight493.55 g/mol
Exact Mass493.15
IUPAC Name5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C23H23N7O4S/c1-14-12-15(2)30(28-14)22-11-10-21(26-27-22)25-16-4-6-17(7-5-16)29-35(32,33)18-8-9-20(34-3)19(13-18)23(24)31/h4-13,29H,1-3H3,(H2,24,31)(H,25,26)
InChIKeyPGDZRDDBXCUESR-UHFFFAOYSA-N
XLogP2.93
TPSA154.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
CID 122292415
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 122292602
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
3,4-dimethoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297617
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
CID 122292561
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide
CID 75404736

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide (CID 122292633) is 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1C(N)=O.
What is the InChIKey of 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is PGDZRDDBXCUESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4S/c1-14-12-15(2)30(28-14)22-11-10-21(26-27-22)25-16-4-6-17(7-5-16)29-35(32,33)18-8-9-20(34-3)19(13-18)23(24)31/h4-13,29H,1-3H3,(H2,24,31)(H,25,26).
What are the key properties of 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide?
5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 493.55 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 122292633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).