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

C24H18ClN3O2S — CID 46323783

IUPAC4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1
InChIInChI=1S/C24H18ClN3O2S/c1-16-3-2-4-19(15-16)26-24(30)17-5-9-20(10-6-17)28-23(29)14-13-22(27-28)31-21-11-7-18(25)8-12-21/h2-15H,1H3,(H,26,30)
InChIKeyFOXUQAJQZVIPIV-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.60
Rot. Bonds5

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

4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide (PubChem CID 46323783) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
PubChem CID46323783
Molecular FormulaC24H18ClN3O2S
Molecular Weight447.95 g/mol
Exact Mass447.08
IUPAC Name4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1
InChIInChI=1S/C24H18ClN3O2S/c1-16-3-2-4-19(15-16)26-24(30)17-5-9-20(10-6-17)28-23(29)14-13-22(27-28)31-21-11-7-18(25)8-12-21/h2-15H,1H3,(H,26,30)
InChIKeyFOXUQAJQZVIPIV-UHFFFAOYSA-N
XLogP5.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 46323762
N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323826
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323886
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide (CID 46323783) is 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide is Cc1cccc(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-methylphenyl)benzamide?
The InChIKey is FOXUQAJQZVIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c1-16-3-2-4-19(15-16)26-24(30)17-5-9-20(10-6-17)28-23(29)14-13-22(27-28)31-21-11-7-18(25)8-12-21/h2-15H,1H3,(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide?
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 447.95 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 46323783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).