2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione

C26H16F2N2O6S2 — CID 138699202

IUPAC2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(F)cc3)c(CS(=O)(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C26H16F2N2O6S2/c27-15-5-9-17(10-6-15)37(33,34)13-21-22(14-38(35,36)18-11-7-16(28)8-12-18)30-24-23(29-21)25(31)19-3-1-2-4-20(19)26(24)32/h1-12H,13-14H2
InChIKeyVGEIJWLGBFNLOP-UHFFFAOYSA-N
MW554.55 g/mol
LogP3.48
Rot. Bonds6

About 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione

2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione (PubChem CID 138699202) has the molecular formula C26H16F2N2O6S2 and a molecular weight of 554.55 g/mol. Its IUPAC name is 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione.

Molecular Properties

Compound Name2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
PubChem CID138699202
Molecular FormulaC26H16F2N2O6S2
Molecular Weight554.55 g/mol
Exact Mass554.04
IUPAC Name2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(F)cc3)c(CS(=O)(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C26H16F2N2O6S2/c27-15-5-9-17(10-6-15)37(33,34)13-21-22(14-38(35,36)18-11-7-16(28)8-12-18)30-24-23(29-21)25(31)19-3-1-2-4-20(19)26(24)32/h1-12H,13-14H2
InChIKeyVGEIJWLGBFNLOP-UHFFFAOYSA-N
XLogP3.48
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The IUPAC name of 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione (CID 138699202) is 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione.
What is the SMILES notation for 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The canonical SMILES for 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione is O=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(F)cc3)c(CS(=O)(=O)c3ccc(F)cc3)nc21.
What is the InChIKey of 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The InChIKey is VGEIJWLGBFNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N2O6S2/c27-15-5-9-17(10-6-15)37(33,34)13-21-22(14-38(35,36)18-11-7-16(28)8-12-18)30-24-23(29-21)25(31)19-3-1-2-4-20(19)26(24)32/h1-12H,13-14H2.
What are the key properties of 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione has a molecular weight of 554.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-fluorophenyl)sulfonylmethyl]benzo[g]quinoxaline-5,10-dione is sourced from PubChem (CID 138699202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).