1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine

C14H13FN2O3S — CID 71844771

IUPAC1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)c2cccnc2O1
InChIInChI=1S/C14H13FN2O3S/c1-10-9-17(13-3-2-8-16-14(13)20-10)21(18,19)12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3
InChIKeyIDIHYZTZSWPAON-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine

1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 71844771) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID71844771
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)c2cccnc2O1
InChIInChI=1S/C14H13FN2O3S/c1-10-9-17(13-3-2-8-16-14(13)20-10)21(18,19)12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3
InChIKeyIDIHYZTZSWPAON-UHFFFAOYSA-N
XLogP2.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 71844771) is 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is CC1CN(S(=O)(=O)c2ccc(F)cc2)c2cccnc2O1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is IDIHYZTZSWPAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-10-9-17(13-3-2-8-16-14(13)20-10)21(18,19)12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 308.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 71844771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).