4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C16H15FN2O5S — CID 5301682

IUPAC4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(F)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C16H15FN2O5S/c1-23-13-7-10(17)15(8-14(13)24-2)25(21,22)19-9-16(20)18-11-5-3-4-6-12(11)19/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyJMYVOLNOZHZKKR-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.99
Rot. Bonds4

About 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 5301682) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID5301682
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(F)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C16H15FN2O5S/c1-23-13-7-10(17)15(8-14(13)24-2)25(21,22)19-9-16(20)18-11-5-3-4-6-12(11)19/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyJMYVOLNOZHZKKR-UHFFFAOYSA-N
XLogP1.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 5301682) is 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is COc1cc(F)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1OC.
What is the InChIKey of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is JMYVOLNOZHZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-23-13-7-10(17)15(8-14(13)24-2)25(21,22)19-9-16(20)18-11-5-3-4-6-12(11)19/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 366.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 5301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).