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

C38H24F2N2O6S2 — CID 138699192

IUPAC2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)c(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)nc21
InChIInChI=1S/C38H24F2N2O6S2/c39-27-13-5-23(6-14-27)25-9-17-29(18-10-25)49(45,46)21-33-34(42-36-35(41-33)37(43)31-3-1-2-4-32(31)38(36)44)22-50(47,48)30-19-11-26(12-20-30)24-7-15-28(40)16-8-24/h1-20H,21-22H2
InChIKeyREQKLEHXHGKNSZ-UHFFFAOYSA-N
MW706.75 g/mol
LogP6.81
Rot. Bonds8

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

2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione (PubChem CID 138699192) has the molecular formula C38H24F2N2O6S2 and a molecular weight of 706.75 g/mol. Its IUPAC name is 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione.

Molecular Properties

Compound Name2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
PubChem CID138699192
Molecular FormulaC38H24F2N2O6S2
Molecular Weight706.75 g/mol
Exact Mass706.10
IUPAC Name2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)c(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)nc21
InChIInChI=1S/C38H24F2N2O6S2/c39-27-13-5-23(6-14-27)25-9-17-29(18-10-25)49(45,46)21-33-34(42-36-35(41-33)37(43)31-3-1-2-4-32(31)38(36)44)22-50(47,48)30-19-11-26(12-20-30)24-7-15-28(40)16-8-24/h1-20H,21-22H2
InChIKeyREQKLEHXHGKNSZ-UHFFFAOYSA-N
XLogP6.81
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.75
LogP ≤ 56.81
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-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The IUPAC name of 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione (CID 138699192) is 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione.
What is the SMILES notation for 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The canonical SMILES for 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione is O=C1c2ccccc2C(=O)c2nc(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)c(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)nc21.
What is the InChIKey of 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
The InChIKey is REQKLEHXHGKNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F2N2O6S2/c39-27-13-5-23(6-14-27)25-9-17-29(18-10-25)49(45,46)21-33-34(42-36-35(41-33)37(43)31-3-1-2-4-32(31)38(36)44)22-50(47,48)30-19-11-26(12-20-30)24-7-15-28(40)16-8-24/h1-20H,21-22H2.
What are the key properties of 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione?
2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione has a molecular weight of 706.75 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzo[g]quinoxaline-5,10-dione is sourced from PubChem (CID 138699192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).