9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C20H20F2N2O3S — CID 23135255

IUPAC9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-16-8-4-9-17(22)18(16)28(26,27)23-12-5-10-20(14-23)11-13-24(19(20)25)15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2
InChIKeySFUHBNFLJFTQMY-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.17
Rot. Bonds3

About 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135255) has the molecular formula C20H20F2N2O3S and a molecular weight of 406.45 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135255
Molecular FormulaC20H20F2N2O3S
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-16-8-4-9-17(22)18(16)28(26,27)23-12-5-10-20(14-23)11-13-24(19(20)25)15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2
InChIKeySFUHBNFLJFTQMY-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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Related Compounds

9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135289
9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135203
9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
CID 69435907
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867
2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 23135189
1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 75508944
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
CID 131686322
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 110081253

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 23135255) is 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1c(F)cccc1F)C2.
What is the InChIKey of 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is SFUHBNFLJFTQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S/c21-16-8-4-9-17(22)18(16)28(26,27)23-12-5-10-20(14-23)11-13-24(19(20)25)15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2.
What are the key properties of 9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(2,6-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-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).