9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C20H20F2N2O3S — CID 23135289

IUPAC9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1cc(F)ccc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-15-7-8-17(22)18(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
InChIKeyQFIUGPBPMSAPSC-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.17
Rot. Bonds3

About 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135289) has the molecular formula C20H20F2N2O3S and a molecular weight of 406.45 g/mol. Its IUPAC name is 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135289
Molecular FormulaC20H20F2N2O3S
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1cc(F)ccc1F)C2
InChIInChI=1S/C20H20F2N2O3S/c21-15-7-8-17(22)18(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
InChIKeyQFIUGPBPMSAPSC-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

1-{4-[(4-Phenyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
CID 1520371
1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]isonipecotamide
CID 17585068
1-{4-[(4-Methylpiperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 19614435
8-(benzenesulfonyl)-2-[4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46234221
4-fluoro-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]benzenesulfonamide
CID 934461
N-(2-fluorophenyl)-1-(phenylsulfonyl)-3-piperidinecarboxamide
CID 2990599
(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane
CID 3233951
1-(benzenesulfonyl)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 3683098
[1-(Benzenesulfonyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4782761
2,3-Dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 4794154
N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497269
N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497283

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 23135289) is 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1cc(F)ccc1F)C2.
What is the InChIKey of 9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is QFIUGPBPMSAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S/c21-15-7-8-17(22)18(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-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(2,5-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-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).