2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide

C15H15ClN4O3S — CID 113042939

IUPAC2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O3S/c16-12-4-2-1-3-11(12)15(21)18-14-6-5-13(19-20-14)17-10-7-8-24(22,23)9-10/h1-6,10H,7-9H2,(H,17,19)(H,18,20,21)
InChIKeyGICFMEHLQMBTKK-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.98
Rot. Bonds4

About 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide

2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide (PubChem CID 113042939) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
PubChem CID113042939
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O3S/c16-12-4-2-1-3-11(12)15(21)18-14-6-5-13(19-20-14)17-10-7-8-24(22,23)9-10/h1-6,10H,7-9H2,(H,17,19)(H,18,20,21)
InChIKeyGICFMEHLQMBTKK-UHFFFAOYSA-N
XLogP1.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113042948
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946
N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109156849
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952
2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
CID 17471003
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide (CID 113042939) is 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide?
The InChIKey is GICFMEHLQMBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-12-4-2-1-3-11(12)15(21)18-14-6-5-13(19-20-14)17-10-7-8-24(22,23)9-10/h1-6,10H,7-9H2,(H,17,19)(H,18,20,21).
What are the key properties of 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide?
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide has a molecular weight of 366.83 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).