2-(benzenesulfonyl)-3-methylquinoxaline

C15H12N2O2S — CID 1202768

IUPAC2-(benzenesulfonyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-11-15(17-14-10-6-5-9-13(14)16-11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAOVXUWYQRXOFQJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.77
Rot. Bonds2

About 2-(benzenesulfonyl)-3-methylquinoxaline

2-(benzenesulfonyl)-3-methylquinoxaline (PubChem CID 1202768) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-methylquinoxaline
PubChem CID1202768
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(benzenesulfonyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-11-15(17-14-10-6-5-9-13(14)16-11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAOVXUWYQRXOFQJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-methylquinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-3-methylquinoxaline (CID 1202768) is 2-(benzenesulfonyl)-3-methylquinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-3-methylquinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-3-methylquinoxaline is Cc1nc2ccccc2nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-methylquinoxaline?
The InChIKey is AOVXUWYQRXOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-11-15(17-14-10-6-5-9-13(14)16-11)20(18,19)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-methylquinoxaline?
2-(benzenesulfonyl)-3-methylquinoxaline has a molecular weight of 284.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-methylquinoxaline is sourced from PubChem (CID 1202768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).