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

C16H14N2O4S — CID 16863985

IUPAC4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)14-9-5-2-6-11(14)16(20)18-10-15(19)17-12-7-3-4-8-13(12)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyDPIKRPPLCCHACG-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.69
Rot. Bonds2

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

4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863985) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863985
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)14-9-5-2-6-11(14)16(20)18-10-15(19)17-12-7-3-4-8-13(12)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyDPIKRPPLCCHACG-UHFFFAOYSA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16863985) is 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is CS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is DPIKRPPLCCHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-23(21,22)14-9-5-2-6-11(14)16(20)18-10-15(19)17-12-7-3-4-8-13(12)18/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 330.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).