7-methylsulfonyl-2-thiophen-2-ylquinoxaline

C13H10N2O2S2 — CID 90740809

IUPAC7-methylsulfonyl-2-thiophen-2-ylquinoxaline
SMILESCS(=O)(=O)c1ccc2ncc(-c3cccs3)nc2c1
InChIInChI=1S/C13H10N2O2S2/c1-19(16,17)9-4-5-10-11(7-9)15-12(8-14-10)13-3-2-6-18-13/h2-8H,1H3
InChIKeyMLGCFMXNAVQVCE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.76
Rot. Bonds2

About 7-methylsulfonyl-2-thiophen-2-ylquinoxaline

7-methylsulfonyl-2-thiophen-2-ylquinoxaline (PubChem CID 90740809) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-methylsulfonyl-2-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name7-methylsulfonyl-2-thiophen-2-ylquinoxaline
PubChem CID90740809
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name7-methylsulfonyl-2-thiophen-2-ylquinoxaline
SMILESCS(=O)(=O)c1ccc2ncc(-c3cccs3)nc2c1
InChIInChI=1S/C13H10N2O2S2/c1-19(16,17)9-4-5-10-11(7-9)15-12(8-14-10)13-3-2-6-18-13/h2-8H,1H3
InChIKeyMLGCFMXNAVQVCE-UHFFFAOYSA-N
XLogP2.76
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-thiophen-2-ylquinoxaline?
The IUPAC name of 7-methylsulfonyl-2-thiophen-2-ylquinoxaline (CID 90740809) is 7-methylsulfonyl-2-thiophen-2-ylquinoxaline.
What is the SMILES notation for 7-methylsulfonyl-2-thiophen-2-ylquinoxaline?
The canonical SMILES for 7-methylsulfonyl-2-thiophen-2-ylquinoxaline is CS(=O)(=O)c1ccc2ncc(-c3cccs3)nc2c1.
What is the InChIKey of 7-methylsulfonyl-2-thiophen-2-ylquinoxaline?
The InChIKey is MLGCFMXNAVQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-19(16,17)9-4-5-10-11(7-9)15-12(8-14-10)13-3-2-6-18-13/h2-8H,1H3.
What are the key properties of 7-methylsulfonyl-2-thiophen-2-ylquinoxaline?
7-methylsulfonyl-2-thiophen-2-ylquinoxaline has a molecular weight of 290.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-thiophen-2-ylquinoxaline is sourced from PubChem (CID 90740809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).