1-chloro-4-(2-methylphenyl)sulfanylphthalazine

C15H11ClN2S — CID 55040702

IUPAC1-chloro-4-(2-methylphenyl)sulfanylphthalazine
SMILESCc1ccccc1Sc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2S/c1-10-6-2-5-9-13(10)19-15-12-8-4-3-7-11(12)14(16)17-18-15/h2-9H,1H3
InChIKeyWFXXETMUIKPEMR-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.74
Rot. Bonds2

About 1-chloro-4-(2-methylphenyl)sulfanylphthalazine

1-chloro-4-(2-methylphenyl)sulfanylphthalazine (PubChem CID 55040702) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 1-chloro-4-(2-methylphenyl)sulfanylphthalazine.

Molecular Properties

Compound Name1-chloro-4-(2-methylphenyl)sulfanylphthalazine
PubChem CID55040702
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name1-chloro-4-(2-methylphenyl)sulfanylphthalazine
SMILESCc1ccccc1Sc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2S/c1-10-6-2-5-9-13(10)19-15-12-8-4-3-7-11(12)14(16)17-18-15/h2-9H,1H3
InChIKeyWFXXETMUIKPEMR-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-4-(2-methylphenyl)sulfanylphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methylphenyl)sulfanylphthalazine?
The IUPAC name of 1-chloro-4-(2-methylphenyl)sulfanylphthalazine (CID 55040702) is 1-chloro-4-(2-methylphenyl)sulfanylphthalazine.
What is the SMILES notation for 1-chloro-4-(2-methylphenyl)sulfanylphthalazine?
The canonical SMILES for 1-chloro-4-(2-methylphenyl)sulfanylphthalazine is Cc1ccccc1Sc1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(2-methylphenyl)sulfanylphthalazine?
The InChIKey is WFXXETMUIKPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-10-6-2-5-9-13(10)19-15-12-8-4-3-7-11(12)14(16)17-18-15/h2-9H,1H3.
What are the key properties of 1-chloro-4-(2-methylphenyl)sulfanylphthalazine?
1-chloro-4-(2-methylphenyl)sulfanylphthalazine has a molecular weight of 286.79 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methylphenyl)sulfanylphthalazine is sourced from PubChem (CID 55040702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).