N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide

C16H11Cl2N3OS — CID 134025550

IUPACN-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22)
InChIKeyZQSLKSLYQFRTRF-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.67
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 134025550) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID134025550
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC NameN-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22)
InChIKeyZQSLKSLYQFRTRF-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 134025550) is N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide is O=C(CSc1nncc2ccccc12)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is ZQSLKSLYQFRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 364.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 134025550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).