5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline

C22H18N2O6S2 — CID 71186031

IUPAC5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline
SMILESCOc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)c3nccnc23)cc1
InChIInChI=1S/C22H18N2O6S2/c1-29-15-3-7-17(8-4-15)31(25,26)19-11-12-20(22-21(19)23-13-14-24-22)32(27,28)18-9-5-16(30-2)6-10-18/h3-14H,1-2H3
InChIKeyABGPZJZNPSCQBV-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.31
Rot. Bonds6

About 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline

5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline (PubChem CID 71186031) has the molecular formula C22H18N2O6S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline.

Molecular Properties

Compound Name5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline
PubChem CID71186031
Molecular FormulaC22H18N2O6S2
Molecular Weight470.53 g/mol
Exact Mass470.06
IUPAC Name5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline
SMILESCOc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)c3nccnc23)cc1
InChIInChI=1S/C22H18N2O6S2/c1-29-15-3-7-17(8-4-15)31(25,26)19-11-12-20(22-21(19)23-13-14-24-22)32(27,28)18-9-5-16(30-2)6-10-18/h3-14H,1-2H3
InChIKeyABGPZJZNPSCQBV-UHFFFAOYSA-N
XLogP3.31
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine
CID 54189244
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 90969251
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine
CID 118613151
4-methoxybenzenesulfonyl iodide
CID 23080708
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline?
The IUPAC name of 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline (CID 71186031) is 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline.
What is the SMILES notation for 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline?
The canonical SMILES for 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline is COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)c3nccnc23)cc1.
What is the InChIKey of 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline?
The InChIKey is ABGPZJZNPSCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6S2/c1-29-15-3-7-17(8-4-15)31(25,26)19-11-12-20(22-21(19)23-13-14-24-22)32(27,28)18-9-5-16(30-2)6-10-18/h3-14H,1-2H3.
What are the key properties of 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline?
5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline has a molecular weight of 470.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline is sourced from PubChem (CID 71186031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).