N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H15Cl2N3O4S — CID 42906742

IUPACN-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C15H15Cl2N3O4S/c16-9-1-2-12(11(17)7-9)18-15(22)13-3-4-14(21)20(19-13)10-5-6-25(23,24)8-10/h1-2,7,10H,3-6,8H2,(H,18,22)
InChIKeyGGIWZVBATQRNSO-UHFFFAOYSA-N
MW404.28 g/mol
LogP2.10
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 42906742) has the molecular formula C15H15Cl2N3O4S and a molecular weight of 404.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID42906742
Molecular FormulaC15H15Cl2N3O4S
Molecular Weight404.28 g/mol
Exact Mass403.02
IUPAC NameN-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C15H15Cl2N3O4S/c16-9-1-2-12(11(17)7-9)18-15(22)13-3-4-14(21)20(19-13)10-5-6-25(23,24)8-10/h1-2,7,10H,3-6,8H2,(H,18,22)
InChIKeyGGIWZVBATQRNSO-UHFFFAOYSA-N
XLogP2.10
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25439081
N-(3-chloro-4-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25498808
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25411884
N-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17420346
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25479676
N-(4-chloro-2-methylnaphthalen-1-yl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 99784182
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17490128
N-[2-(cyclopentylcarbamoyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25485147
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43013811
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25391678
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46436817
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-piperidin-1-yl-3-pyridinyl)-4,5-dihydropyridazine-3-carboxamide
CID 55983638

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 42906742) is N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GGIWZVBATQRNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4S/c16-9-1-2-12(11(17)7-9)18-15(22)13-3-4-14(21)20(19-13)10-5-6-25(23,24)8-10/h1-2,7,10H,3-6,8H2,(H,18,22).
What are the key properties of N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 404.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 42906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).