1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

C18H17FN2O4S — CID 155902705

IUPAC1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H17FN2O4S/c19-13-5-7-14(8-6-13)26(23,24)21-11-9-18(10-12-21)15-3-1-2-4-16(15)20-17(22)25-18/h1-8H,9-12H2,(H,20,22)
InChIKeyIFCNBMLURLWYNL-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.07
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 155902705) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID155902705
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H17FN2O4S/c19-13-5-7-14(8-6-13)26(23,24)21-11-9-18(10-12-21)15-3-1-2-4-16(15)20-17(22)25-18/h1-8H,9-12H2,(H,20,22)
InChIKeyIFCNBMLURLWYNL-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 155902705) is 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is O=C1Nc2ccccc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is IFCNBMLURLWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c19-13-5-7-14(8-6-13)26(23,24)21-11-9-18(10-12-21)15-3-1-2-4-16(15)20-17(22)25-18/h1-8H,9-12H2,(H,20,22).
What are the key properties of 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 376.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 155902705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).