1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one

C16H15FN2O4S — CID 142635977

IUPAC1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CN1
InChIInChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)23-14-5-7-15(8-6-14)24(21,22)19-10-9-16(20)18-11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyGBGDZEZJSACNLV-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one

1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one (PubChem CID 142635977) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one
PubChem CID142635977
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CN1
InChIInChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)23-14-5-7-15(8-6-14)24(21,22)19-10-9-16(20)18-11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyGBGDZEZJSACNLV-UHFFFAOYSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one (CID 142635977) is 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one is O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CN1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one?
The InChIKey is GBGDZEZJSACNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)23-14-5-7-15(8-6-14)24(21,22)19-10-9-16(20)18-11-19/h1-8H,9-11H2,(H,18,20).
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one?
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one has a molecular weight of 350.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one is sourced from PubChem (CID 142635977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).