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

C15H12F2N2O3S — CID 86799240

IUPAC4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)Cc2ccc(F)cc2F)c2ccccc2N1
InChIInChI=1S/C15H12F2N2O3S/c16-11-6-5-10(12(17)7-11)9-23(21,22)19-8-15(20)18-13-3-1-2-4-14(13)19/h1-7H,8-9H2,(H,18,20)
InChIKeyMETNVYJCPBEVIR-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.25
Rot. Bonds3

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

4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 86799240) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID86799240
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)Cc2ccc(F)cc2F)c2ccccc2N1
InChIInChI=1S/C15H12F2N2O3S/c16-11-6-5-10(12(17)7-11)9-23(21,22)19-8-15(20)18-13-3-1-2-4-14(13)19/h1-7H,8-9H2,(H,18,20)
InChIKeyMETNVYJCPBEVIR-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one (CID 86799240) is 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)Cc2ccc(F)cc2F)c2ccccc2N1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is METNVYJCPBEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c16-11-6-5-10(12(17)7-11)9-23(21,22)19-8-15(20)18-13-3-1-2-4-14(13)19/h1-7H,8-9H2,(H,18,20).
What are the key properties of 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one?
4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 338.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 86799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).