4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one

C17H14F2N2O4S — CID 4278060

IUPAC4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)NC(=O)CN2C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O4S/c1-26(24,25)13-2-3-15-14(8-13)20-16(22)9-21(15)17(23)6-10-4-11(18)7-12(19)5-10/h2-5,7-8H,6,9H2,1H3,(H,20,22)
InChIKeyNUSABOSGKGRGGX-UHFFFAOYSA-N
MW380.37 g/mol
LogP1.90
Rot. Bonds3

About 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one

4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 4278060) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID4278060
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)NC(=O)CN2C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O4S/c1-26(24,25)13-2-3-15-14(8-13)20-16(22)9-21(15)17(23)6-10-4-11(18)7-12(19)5-10/h2-5,7-8H,6,9H2,1H3,(H,20,22)
InChIKeyNUSABOSGKGRGGX-UHFFFAOYSA-N
XLogP1.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-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-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one (CID 4278060) is 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one is CS(=O)(=O)c1ccc2c(c1)NC(=O)CN2C(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is NUSABOSGKGRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c1-26(24,25)13-2-3-15-14(8-13)20-16(22)9-21(15)17(23)6-10-4-11(18)7-12(19)5-10/h2-5,7-8H,6,9H2,1H3,(H,20,22).
What are the key properties of 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one?
4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 380.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)acetyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4278060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).