1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one

C20H17FN2O4S — CID 22996151

IUPAC1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc3cc(OCc4ccccc4F)ccc3c2)N1
InChIInChI=1S/C20H17FN2O4S/c21-19-4-2-1-3-16(19)13-27-17-7-5-15-12-18(8-6-14(15)11-17)28(25,26)23-10-9-20(24)22-23/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyIHZKHXLVNXQIED-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.98
Rot. Bonds5

About 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one

1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one (PubChem CID 22996151) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one
PubChem CID22996151
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc3cc(OCc4ccccc4F)ccc3c2)N1
InChIInChI=1S/C20H17FN2O4S/c21-19-4-2-1-3-16(19)13-27-17-7-5-15-12-18(8-6-14(15)11-17)28(25,26)23-10-9-20(24)22-23/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyIHZKHXLVNXQIED-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one?
The IUPAC name of 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one (CID 22996151) is 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one.
What is the SMILES notation for 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one?
The canonical SMILES for 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one is O=C1CCN(S(=O)(=O)c2ccc3cc(OCc4ccccc4F)ccc3c2)N1.
What is the InChIKey of 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one?
The InChIKey is IHZKHXLVNXQIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c21-19-4-2-1-3-16(19)13-27-17-7-5-15-12-18(8-6-14(15)11-17)28(25,26)23-10-9-20(24)22-23/h1-8,11-12H,9-10,13H2,(H,22,24).
What are the key properties of 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one?
1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one has a molecular weight of 400.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylpyrazolidin-3-one is sourced from PubChem (CID 22996151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).