2-(4-methylphenyl)sulfinylquinoxaline

C15H12N2OS — CID 86000433

IUPAC2-(4-methylphenyl)sulfinylquinoxaline
SMILESCc1ccc(S(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c1-11-6-8-12(9-7-11)19(18)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyYCKUTTOKMSOZHF-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-methylphenyl)sulfinylquinoxaline

2-(4-methylphenyl)sulfinylquinoxaline (PubChem CID 86000433) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfinylquinoxaline.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfinylquinoxaline
PubChem CID86000433
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(4-methylphenyl)sulfinylquinoxaline
SMILESCc1ccc(S(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c1-11-6-8-12(9-7-11)19(18)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyYCKUTTOKMSOZHF-UHFFFAOYSA-N
XLogP3.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfinylquinoxaline?
The IUPAC name of 2-(4-methylphenyl)sulfinylquinoxaline (CID 86000433) is 2-(4-methylphenyl)sulfinylquinoxaline.
What is the SMILES notation for 2-(4-methylphenyl)sulfinylquinoxaline?
The canonical SMILES for 2-(4-methylphenyl)sulfinylquinoxaline is Cc1ccc(S(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfinylquinoxaline?
The InChIKey is YCKUTTOKMSOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-11-6-8-12(9-7-11)19(18)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfinylquinoxaline?
2-(4-methylphenyl)sulfinylquinoxaline has a molecular weight of 268.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfinylquinoxaline is sourced from PubChem (CID 86000433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).