4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine

C15H14F2N2O3S — CID 131962927

IUPAC4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
SMILESO=S(=O)(CCc1c(F)cccc1F)N1CCOc2ccncc21
InChIInChI=1S/C15H14F2N2O3S/c16-12-2-1-3-13(17)11(12)5-9-23(20,21)19-7-8-22-15-4-6-18-10-14(15)19/h1-4,6,10H,5,7-9H2
InChIKeyNNADKHGWKUQKFX-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.13
Rot. Bonds4

About 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine

4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine (PubChem CID 131962927) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
PubChem CID131962927
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
SMILESO=S(=O)(CCc1c(F)cccc1F)N1CCOc2ccncc21
InChIInChI=1S/C15H14F2N2O3S/c16-12-2-1-3-13(17)11(12)5-9-23(20,21)19-7-8-22-15-4-6-18-10-14(15)19/h1-4,6,10H,5,7-9H2
InChIKeyNNADKHGWKUQKFX-UHFFFAOYSA-N
XLogP2.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine (CID 131962927) is 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine is O=S(=O)(CCc1c(F)cccc1F)N1CCOc2ccncc21.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The InChIKey is NNADKHGWKUQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-12-2-1-3-13(17)11(12)5-9-23(20,21)19-7-8-22-15-4-6-18-10-14(15)19/h1-4,6,10H,5,7-9H2.
What are the key properties of 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine has a molecular weight of 340.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 131962927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).