4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide

C24H18ClN3O2S2 — CID 46323762

IUPAC4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1
InChIInChI=1S/C24H18ClN3O2S2/c1-31-21-4-2-3-18(15-21)26-24(30)16-5-9-19(10-6-16)28-23(29)14-13-22(27-28)32-20-11-7-17(25)8-12-20/h2-15H,1H3,(H,26,30)
InChIKeyQEHBGZPTCLEWAO-UHFFFAOYSA-N
MW480.01 g/mol
LogP6.01
Rot. Bonds6

About 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide

4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 46323762) has the molecular formula C24H18ClN3O2S2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID46323762
Molecular FormulaC24H18ClN3O2S2
Molecular Weight480.01 g/mol
Exact Mass479.05
IUPAC Name4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1
InChIInChI=1S/C24H18ClN3O2S2/c1-31-21-4-2-3-18(15-21)26-24(30)16-5-9-19(10-6-16)28-23(29)14-13-22(27-28)32-20-11-7-17(25)8-12-20/h2-15H,1H3,(H,26,30)
InChIKeyQEHBGZPTCLEWAO-UHFFFAOYSA-N
XLogP6.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323826
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
4-chloro-N-[(2S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 24536254
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide (CID 46323762) is 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1.
What is the InChIKey of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is QEHBGZPTCLEWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S2/c1-31-21-4-2-3-18(15-21)26-24(30)16-5-9-19(10-6-16)28-23(29)14-13-22(27-28)32-20-11-7-17(25)8-12-20/h2-15H,1H3,(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 480.01 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 46323762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).