6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H17F3N4O4S — CID 38321323

IUPAC6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(S(N)(=O)=O)c2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4S/c1-12-8-17(28)18(26-27(12)15-6-3-5-14(10-15)20(21,22)23)19(29)25-11-13-4-2-7-16(9-13)32(24,30)31/h2-10H,11H2,1H3,(H,25,29)(H2,24,30,31)
InChIKeyOKISOZJBKFDIOC-UHFFFAOYSA-N
MW466.44 g/mol
LogP2.14
Rot. Bonds5

About 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 38321323) has the molecular formula C20H17F3N4O4S and a molecular weight of 466.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID38321323
Molecular FormulaC20H17F3N4O4S
Molecular Weight466.44 g/mol
Exact Mass466.09
IUPAC Name6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(S(N)(=O)=O)c2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4S/c1-12-8-17(28)18(26-27(12)15-6-3-5-14(10-15)20(21,22)23)19(29)25-11-13-4-2-7-16(9-13)32(24,30)31/h2-10H,11H2,1H3,(H,25,29)(H2,24,30,31)
InChIKeyOKISOZJBKFDIOC-UHFFFAOYSA-N
XLogP2.14
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32636927
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27333005
6-methyl-N-(4-methyl-3-sulfamoylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27163255
N-(3-hydroxypropyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78821543
6-methyl-4-oxo-N-(3-phenylmethoxypropyl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 41365851
6-methyl-N-(4-methylpentyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32628634
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 120652808
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119567731
N-(1-amino-3-methyl-1-oxopentan-2-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78814159
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520
N-(5-chloro-2-hydroxyphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55436427

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 38321323) is 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cccc(S(N)(=O)=O)c2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is OKISOZJBKFDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4S/c1-12-8-17(28)18(26-27(12)15-6-3-5-14(10-15)20(21,22)23)19(29)25-11-13-4-2-7-16(9-13)32(24,30)31/h2-10H,11H2,1H3,(H,25,29)(H2,24,30,31).
What are the key properties of 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(3-sulfamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 38321323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).