4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

C18H18N2O4S — CID 16864009

IUPAC4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-12(2)25(23,24)14-9-7-13(8-10-14)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyKVUGNDFEFJVMFO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds3

About 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16864009) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16864009
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-12(2)25(23,24)14-9-7-13(8-10-14)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyKVUGNDFEFJVMFO-UHFFFAOYSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-propan-2-ylsulfonylbenzoyl)-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-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16864009) is 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is CC(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KVUGNDFEFJVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12(2)25(23,24)14-9-7-13(8-10-14)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16864009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).