1-methylsulfonylphthalazine

C9H8N2O2S — CID 14909477

IUPAC1-methylsulfonylphthalazine
SMILESCS(=O)(=O)c1nncc2ccccc12
InChIInChI=1S/C9H8N2O2S/c1-14(12,13)9-8-5-3-2-4-7(8)6-10-11-9/h2-6H,1H3
InChIKeyAOUOCDZLNJNLMI-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.03
Rot. Bonds1

About 1-methylsulfonylphthalazine

1-methylsulfonylphthalazine (PubChem CID 14909477) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-methylsulfonylphthalazine.

Molecular Properties

Compound Name1-methylsulfonylphthalazine
PubChem CID14909477
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-methylsulfonylphthalazine
SMILESCS(=O)(=O)c1nncc2ccccc12
InChIInChI=1S/C9H8N2O2S/c1-14(12,13)9-8-5-3-2-4-7(8)6-10-11-9/h2-6H,1H3
InChIKeyAOUOCDZLNJNLMI-UHFFFAOYSA-N
XLogP1.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylphthalazine?
The IUPAC name of 1-methylsulfonylphthalazine (CID 14909477) is 1-methylsulfonylphthalazine.
What is the SMILES notation for 1-methylsulfonylphthalazine?
The canonical SMILES for 1-methylsulfonylphthalazine is CS(=O)(=O)c1nncc2ccccc12.
What is the InChIKey of 1-methylsulfonylphthalazine?
The InChIKey is AOUOCDZLNJNLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-14(12,13)9-8-5-3-2-4-7(8)6-10-11-9/h2-6H,1H3.
What are the key properties of 1-methylsulfonylphthalazine?
1-methylsulfonylphthalazine has a molecular weight of 208.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylphthalazine is sourced from PubChem (CID 14909477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).