4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

C17H16N2O4S — CID 16863987

IUPAC4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O4S/c1-2-24(22,23)15-10-6-3-7-12(15)17(21)19-11-16(20)18-13-8-4-5-9-14(13)19/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyIJVSYTQQBDYXCN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.08
Rot. Bonds3

About 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863987) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863987
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O4S/c1-2-24(22,23)15-10-6-3-7-12(15)17(21)19-11-16(20)18-13-8-4-5-9-14(13)19/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyIJVSYTQQBDYXCN-UHFFFAOYSA-N
XLogP2.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16863987) is 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is CCS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is IJVSYTQQBDYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-24(22,23)15-10-6-3-7-12(15)17(21)19-11-16(20)18-13-8-4-5-9-14(13)19/h3-10H,2,11H2,1H3,(H,18,20).
What are the key properties of 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).