2-(4-bromophenyl)sulfonylquinoxaline

C14H9BrN2O2S — CID 3838272

IUPAC2-(4-bromophenyl)sulfonylquinoxaline
SMILESO=S(=O)(c1ccc(Br)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C14H9BrN2O2S/c15-10-5-7-11(8-6-10)20(18,19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyMIYOOJWODFLYKL-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-bromophenyl)sulfonylquinoxaline

2-(4-bromophenyl)sulfonylquinoxaline (PubChem CID 3838272) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonylquinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonylquinoxaline
PubChem CID3838272
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name2-(4-bromophenyl)sulfonylquinoxaline
SMILESO=S(=O)(c1ccc(Br)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C14H9BrN2O2S/c15-10-5-7-11(8-6-10)20(18,19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyMIYOOJWODFLYKL-UHFFFAOYSA-N
XLogP3.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylsulfonyl)quinoxaline
CID 3585815
2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-[(4-Bromophenyl)sulfanyl]quinoxaline
CID 3749824
2-(Methylsulfonyl)quinoxaline
CID 85363
2-[(3,5-Dimethylphenyl)sulfonyl]quinoxaline
CID 3792610
2-(4-Bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
CID 70689664
2-[(4-Fluorophenyl)methylsulfonyl]quinoxaline
CID 178293162
6-Bromo-2-[(4-fluorophenyl)methylsulfinyl]quinoxaline
CID 178319802
6-Bromo-2-[(4-fluorophenyl)methylsulfonyl]quinoxaline
CID 178320532
Quinoxaline, 2-methylsulphinyl-
CID 11344534
2-{[3-(Trifluoromethyl)phenyl]sulfonyl}quinoxaline
CID 3565877

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonylquinoxaline?
The IUPAC name of 2-(4-bromophenyl)sulfonylquinoxaline (CID 3838272) is 2-(4-bromophenyl)sulfonylquinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)sulfonylquinoxaline?
The canonical SMILES for 2-(4-bromophenyl)sulfonylquinoxaline is O=S(=O)(c1ccc(Br)cc1)c1cnc2ccccc2n1.
What is the InChIKey of 2-(4-bromophenyl)sulfonylquinoxaline?
The InChIKey is MIYOOJWODFLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-10-5-7-11(8-6-10)20(18,19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H.
What are the key properties of 2-(4-bromophenyl)sulfonylquinoxaline?
2-(4-bromophenyl)sulfonylquinoxaline has a molecular weight of 349.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonylquinoxaline is sourced from PubChem (CID 3838272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).