1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine

C15H11ClN2OS — CID 62125614

IUPAC1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine
SMILESCOc1ccc(Sc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-13-5-3-2-4-12(13)14(16)17-18-15/h2-9H,1H3
InChIKeyWFODOEKIZLHJRG-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.44
Rot. Bonds3

About 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine

1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine (PubChem CID 62125614) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine.

Molecular Properties

Compound Name1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine
PubChem CID62125614
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine
SMILESCOc1ccc(Sc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-13-5-3-2-4-12(13)14(16)17-18-15/h2-9H,1H3
InChIKeyWFODOEKIZLHJRG-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
CID 2777722
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CID 62126861
2-[[4-hydroxy-1-(4-methoxyphenyl)sulfanylisoquinoline-3-carbonyl]amino]acetic acid
CID 66712820
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
2-(4-methoxyphenyl)sulfanyl-3,1-benzoxazin-4-one
CID 155188011
1-chloro-4-(2-methylpropylsulfanyl)phthalazine
CID 62140436
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
3,6-dichloro-5-phenylsulfanyl-1,2,4-triazine
CID 14774765
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine?
The IUPAC name of 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine (CID 62125614) is 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine.
What is the SMILES notation for 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine?
The canonical SMILES for 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine is COc1ccc(Sc2nnc(Cl)c3ccccc23)cc1.
What is the InChIKey of 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine?
The InChIKey is WFODOEKIZLHJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-13-5-3-2-4-12(13)14(16)17-18-15/h2-9H,1H3.
What are the key properties of 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine?
1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine has a molecular weight of 302.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine is sourced from PubChem (CID 62125614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).