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

C16H14N2O4S — CID 16863991

IUPAC4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVBEKMBGRUDJQSN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.69
Rot. Bonds2

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

4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863991) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863991
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVBEKMBGRUDJQSN-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-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16863991) is 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is CS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is VBEKMBGRUDJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-23(21,22)12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 4-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-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-(3-methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).