9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C20H20F2N2O3S — CID 69437358

IUPAC9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-15-7-8-18(17(22)13-15)28(26,27)23-11-4-9-20(14-23)10-12-24(19(20)25)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2
InChIKeyKNLJVFTWUOQNMI-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.17
Rot. Bonds3

About 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 69437358) has the molecular formula C20H20F2N2O3S and a molecular weight of 406.45 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID69437358
Molecular FormulaC20H20F2N2O3S
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-15-7-8-18(17(22)13-15)28(26,27)23-11-4-9-20(14-23)10-12-24(19(20)25)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2
InChIKeyKNLJVFTWUOQNMI-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 69437358) is 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KNLJVFTWUOQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S/c21-15-7-8-18(17(22)13-15)28(26,27)23-11-4-9-20(14-23)10-12-24(19(20)25)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2.
What are the key properties of 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 406.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 69437358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).