N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C16H16N6O3S — CID 154775707

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1C
InChIInChI=1S/C16H16N6O3S/c1-10-7-12(26(17,24)25)8-14(11(10)2)19-16(23)13-3-4-15(21-20-13)22-6-5-18-9-22/h3-9H,1-2H3,(H,19,23)(H2,17,24,25)
InChIKeyCHNHUAQEIIVVMH-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.18
Rot. Bonds4

About N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 154775707) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID154775707
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1C
InChIInChI=1S/C16H16N6O3S/c1-10-7-12(26(17,24)25)8-14(11(10)2)19-16(23)13-3-4-15(21-20-13)22-6-5-18-9-22/h3-9H,1-2H3,(H,19,23)(H2,17,24,25)
InChIKeyCHNHUAQEIIVVMH-UHFFFAOYSA-N
XLogP1.18
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
lithium 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 139434655
N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide
CID 81258188
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
CID 156578747
methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 156578854
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
lithium;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 159498123

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 154775707) is N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is CHNHUAQEIIVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-10-7-12(26(17,24)25)8-14(11(10)2)19-16(23)13-3-4-15(21-20-13)22-6-5-18-9-22/h3-9H,1-2H3,(H,19,23)(H2,17,24,25).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 154775707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).