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

C15H15FN2O3S — CID 71911176

IUPAC1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc(S(=O)(=O)N2CC(C)Oc3ncccc32)c(F)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-5-6-14(12(16)8-10)22(19,20)18-9-11(2)21-15-13(18)4-3-7-17-15/h3-8,11H,9H2,1-2H3
InChIKeyWVSGOENDXYUWBE-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.51
Rot. Bonds2

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

1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 71911176) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID71911176
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc(S(=O)(=O)N2CC(C)Oc3ncccc32)c(F)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-5-6-14(12(16)8-10)22(19,20)18-9-11(2)21-15-13(18)4-3-7-17-15/h3-8,11H,9H2,1-2H3
InChIKeyWVSGOENDXYUWBE-UHFFFAOYSA-N
XLogP2.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 71911176) is 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is Cc1ccc(S(=O)(=O)N2CC(C)Oc3ncccc32)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is WVSGOENDXYUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-5-6-14(12(16)8-10)22(19,20)18-9-11(2)21-15-13(18)4-3-7-17-15/h3-8,11H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 322.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 71911176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).